8-(benzyloxy)-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
Chemical Structure Depiction of
8-(benzyloxy)-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
8-(benzyloxy)-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
Compound characteristics
| Compound ID: | 8016-8356 |
| Compound Name: | 8-(benzyloxy)-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole |
| Molecular Weight: | 526.57 |
| Molecular Formula: | C29 H22 N2 O6 S |
| Smiles: | Cc1ccc(cc1)S(N1CC2=Cc3ccc(cc3Oc3cc(cc1c23)[N+]([O-])=O)OCc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4654 |
| logD: | 6.4654 |
| logSw: | -5.8419 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.444 |
| InChI Key: | FDTYOTDQWJFGJL-UHFFFAOYSA-N |