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Structure
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| Relationships |
Total Number of functionally related protein(s) :
2
Total Number of Articles : 2
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| PubChem |
134212
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| Molecular Formula |
C31H39N3O6S2 |
| SMILES |
CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CN(C)CCOCCOCCN(C)C(=O)CCSSC4=CC=CC=N4)C |
| InChI |
InChI=1S/C31H39N3O6S2/c1-21-18-29(36)40-30-22(2)31-25(19-24(21)30)26(23(3)39-31)20-33(4)11-13-37-15-16-38-14-12-34(5)28(35)9-17-41-42-27-8-6-7-10-32-27/h6-8,10,18-19H,9,11-17,20H2,1-5H3 |
| synonyms |
- 83353-04-2
- N-methyl-N-[2-[2-[2-[methyl-[(2,5,9-trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methyl]amino]ethoxy]ethoxy]ethyl]-3-(pyridin-2-yldisulfanyl)propanamide
- 2-Pdm-psoralen
- Propanamide, N-methyl-N-(2-(2-(2-(methyl((2,5,9-trimethyl-7-oxo-7H-furo(3,2-g)(1)benzopyran-3-yl)methyl)amino)ethoxy)ethoxy)ethyl)-3-(2-pyridinyldithio)-
- DTXSID301003343
- 2-Pyridyldithioethylmethylamidodiethoxyethane methylaminomethyltrimethylpsoralen
- N-Methyl-N-{2-[2-(2-{methyl[(2,5,9-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-3-yl)methyl]amino}ethoxy)ethoxy]ethyl}-3-[(pyridin-2-yl)disulfanyl]propanamide
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| Properties |
| Property |
Value |
| MW |
613.8 g/mol |
| HBD |
0 |
| HBA |
10 |
| Rotatable Bond Count |
16 |
| Exact Mass |
613.22802832 g/mol |
| Monoisotopic Mass |
613.22802832 g/mol |
| Heavy Atom Count |
42 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
910 |
| xlogp |
3.5 |
| Topological Polar Surface Area |
145 |
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