7-methoxy-2-(4-methylbenzene-1-sulfonyl)-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole
Chemical Structure Depiction of
7-methoxy-2-(4-methylbenzene-1-sulfonyl)-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole
7-methoxy-2-(4-methylbenzene-1-sulfonyl)-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole
Compound characteristics
| Compound ID: | 8015-1236 |
| Compound Name: | 7-methoxy-2-(4-methylbenzene-1-sulfonyl)-4-nitro-2,11-dihydro[1]benzoxepino[4,3,2-cd]indole |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C23 H18 N2 O6 S |
| Smiles: | Cc1ccc(cc1)S(n1cc2Cc3cccc(c3Oc3cc(cc1c23)[N+]([O-])=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1512 |
| logD: | 5.1512 |
| logSw: | -5.2319 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.072 |
| InChI Key: | BAZPBDQFUKZALN-UHFFFAOYSA-N |