Structure
|
|
Relationships |
Total Number of functionally related protein(s) :
31
Total Number of Articles : 29
|
PubChem |
131411
|
Molecular Formula |
C22H25BrN2O3S |
SMILES |
CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CC=C3 |
InChI |
InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3 |
synonyms |
- Arbidol
- umifenovir
- 131707-25-0
- Umifenovir [INN]
- ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-(phenylsulfanylmethyl)indole-3-carboxylate
- ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
- MLS000777586
- 93M09WW4RU
- Umifenovir (INN)
- 1H-Indole-3-carboxylic acid, 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-, ethyl ester
- 1H-Indole-3-carboxylic acid, 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylthio)methyl]-, ethyl ester
- SMR000413980
- ethyl 6-bromo-4-((dimethylamino)methyl)-5-hydroxy-1-methyl-2-((phenylthio)methyl)-1H-indole-3-carboxylate
- C22H25BrN2O3S
- UNII-93M09WW4RU
- 6-Bromo-4-dimethylaminomethyl-5-hydroxy-1-methyl-2-phenylsulfanylmethyl-1H-indole-3-carboxylic acid ethyl ester
- 75U
- ETHYL 6-BROMO-4-((DIMETHYLAMINO)METHYL)-5-HYDROXY-1-METHYL-2-((PHENYLSULFANYL)METHYL)-1H-INDOLE-3-CARBOXYLATE
- Arbidol; Umifenovir
- AR-1I9514
- ChemDiv1_000732
- UMIFENOVIR [WHO-DD]
- Oprea1_384852
- Oprea1_482224
- MLS006011808
- cid_131411
- SCHEMBL1068701
- CHEMBL1214598
- BDBM83797
- GTPL11089
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|
Properties |
Property |
Value |
MW |
477.4 g/mol |
HBD |
1 |
HBA |
5 |
Rotatable Bond Count |
8 |
Exact Mass |
476.07693 g/mol |
Monoisotopic Mass |
476.07693 g/mol |
Heavy Atom Count |
29 |
Isotope Atom Count |
0 |
Atom Stereo Count |
0 |
Covalent Unit Count |
1 |
Complexity |
546 |
xlogp |
4.4 |
Topological Polar Surface Area |
80 |
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