1-(4-methoxy-3-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Chemical Structure Depiction of
1-(4-methoxy-3-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
1-(4-methoxy-3-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Compound characteristics
| Compound ID: | R052-0804 |
| Compound Name: | 1-(4-methoxy-3-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole |
| Molecular Weight: | 497.6 |
| Molecular Formula: | C29 H31 N5 O3 |
| Smiles: | COc1ccc(cc1CN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)C1c2c(CCN1)c1ccccc1[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1041 |
| logD: | 3.3851 |
| logSw: | -4.3693 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.373 |
| InChI Key: | VTMALPXYFQHBFL-MUUNZHRXSA-N |