1-(4-chloro-3-nitrophenyl)-6-methoxy-2-(4-methylbenzene-1-sulfonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Chemical Structure Depiction of
1-(4-chloro-3-nitrophenyl)-6-methoxy-2-(4-methylbenzene-1-sulfonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
1-(4-chloro-3-nitrophenyl)-6-methoxy-2-(4-methylbenzene-1-sulfonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Compound characteristics
| Compound ID: | 8018-0139 |
| Compound Name: | 1-(4-chloro-3-nitrophenyl)-6-methoxy-2-(4-methylbenzene-1-sulfonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole |
| Molecular Weight: | 511.98 |
| Molecular Formula: | C25 H22 Cl N3 O5 S |
| Smiles: | Cc1ccc(cc1)S(N1CCc2c3cc(ccc3[nH]c2C1c1ccc(c(c1)[N+]([O-])=O)[Cl])OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8845 |
| logD: | 5.8845 |
| logSw: | -6.2472 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.535 |
| InChI Key: | FNLGRKJGNSNLJU-RUZDIDTESA-N |