9-[(4-chlorophenyl)diazenyl]-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
Chemical Structure Depiction of
9-[(4-chlorophenyl)diazenyl]-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
9-[(4-chlorophenyl)diazenyl]-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
Compound characteristics
| Compound ID: | 8016-8359 |
| Compound Name: | 9-[(4-chlorophenyl)diazenyl]-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole |
| Molecular Weight: | 559 |
| Molecular Formula: | C28 H19 Cl N4 O5 S |
| Smiles: | Cc1ccc(cc1)S(N1CC2=Cc3cc(ccc3Oc3cc(cc1c23)[N+]([O-])=O)/N=N\c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6143 |
| logD: | 7.6143 |
| logSw: | -6.8087 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 93.904 |
| InChI Key: | ARHAUUKUSGUJAE-UHFFFAOYSA-N |