2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
Chemical Structure Depiction of
2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
Compound characteristics
| Compound ID: | 8012-4570 |
| Compound Name: | 2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole |
| Molecular Weight: | 420.44 |
| Molecular Formula: | C22 H16 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(N1CC2=Cc3ccccc3Oc3cc(cc1c23)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9287 |
| logD: | 4.9287 |
| logSw: | -4.8565 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.216 |
| InChI Key: | DSVKGUDYAVMNHR-UHFFFAOYSA-N |