6-methoxy-1-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1)
Chemical Structure Depiction of
6-methoxy-1-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1)
6-methoxy-1-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8017-0601 |
| Compound Name: | 6-methoxy-1-{3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole--hydrogen chloride (1/1) |
| Molecular Weight: | 495.96 |
| Molecular Formula: | C26 H25 N3 O5 |
| Salt: | HCl |
| Smiles: | COc1ccc2c(c1)c1CCNC(c3ccc(c(c3)OC)OCc3ccc(cc3)[N+]([O-])=O)c1[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1535 |
| logD: | 2.413 |
| logSw: | -4.6424 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.238 |
| InChI Key: | HKXBBAHARITPFJ-RUZDIDTESA-N |