Structure
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Relationships |
Total Number of functionally related protein(s) :
11
Total Number of Articles : 41
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PubChem |
1338
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Molecular Formula |
C27H38N2O+2 |
SMILES |
C[N+](C)(CC=C)C1=CC=C(C=C1)CCC(=O)CCC2=CC=C(C=C2)[N+](C)(C)CC=C |
InChI |
InChI=1S/C27H38N2O/c1-7-21-28(3,4)25-15-9-23(10-16-25)13-19-27(30)20-14-24-11-17-26(18-12-24)29(5,6)22-8-2/h7-12,15-18H,1-2,13-14,19-22H2,3-6H3/q+2 |
synonyms |
- BW284c51
- CHEMBL140020
- 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM
- BW-28C51
- [4-[5-[4-[dimethyl(prop-2-enyl)azaniumyl]phenyl]-3-oxopentyl]phenyl]-dimethyl-prop-2-enylazanium
- EBW
- CHEMBL464538
- BW284C51 cation
- Benzenaminium, 4,4'-(3-oxo-1,5-pentanediyl)bis(N,N-dimethyl-N-2-propenyl-), Dibromide
- GTPL6600
- SCHEMBL7449688
- BDBM10624
- ZAEXMNKDGJNLTA-UHFFFAOYSA-N
- NCGC00247016-01
- Q27075594
- 1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-one dibromide
- 4,4'-(3-oxopentane-1,5-diyl)bis(N,N-dimethyl-N-prop-2-en-1-ylanilinium)
- [4-[5-[4-(dimethyl-prop-2-enylazaniumyl)phenyl]-3-oxopentyl]phenyl]-dimethyl-prop-2-enylazanium
- 4-(5-{4-[dimethyl(prop-2-en-1-yl)aminiumyl]phenyl}-3-oxopentyl)-N,N-dimethyl-N-(prop-2-en-1-yl)anilinium dibromide
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Properties |
Property |
Value |
MW |
406.6 g/mol |
HBD |
0 |
HBA |
1 |
Rotatable Bond Count |
12 |
Exact Mass |
406.298413840 g/mol |
Monoisotopic Mass |
406.298413840 g/mol |
Heavy Atom Count |
30 |
Isotope Atom Count |
0 |
Atom Stereo Count |
0 |
Covalent Unit Count |
1 |
Complexity |
501 |
xlogp |
4.8 |
Topological Polar Surface Area |
17.1 |
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