1-{1-[4-(benzyloxy)phenyl]-6-methoxy-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-6-chlorohexan-1-one
Chemical Structure Depiction of
1-{1-[4-(benzyloxy)phenyl]-6-methoxy-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-6-chlorohexan-1-one
1-{1-[4-(benzyloxy)phenyl]-6-methoxy-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-6-chlorohexan-1-one
Compound characteristics
| Compound ID: | V031-2463 |
| Compound Name: | 1-{1-[4-(benzyloxy)phenyl]-6-methoxy-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl}-6-chlorohexan-1-one |
| Molecular Weight: | 517.07 |
| Molecular Formula: | C31 H33 Cl N2 O3 |
| Salt: | not_available |
| Smiles: | COc1ccc2c(c1)c1CCN(C(c3ccc(cc3)OCc3ccccc3)c1[nH]2)C(CCCCC[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8858 |
| logD: | 6.8858 |
| logSw: | -5.8116 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.587 |
| InChI Key: | PWEKWODAEKMLBC-WJOKGBTCSA-N |