9-bromo-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
Chemical Structure Depiction of
9-bromo-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
9-bromo-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole
Compound characteristics
| Compound ID: | 8014-2415 |
| Compound Name: | 9-bromo-2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydro[1]benzoxepino[4,3,2-cd]indole |
| Molecular Weight: | 499.34 |
| Molecular Formula: | C22 H15 Br N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(N1CC2=Cc3cc(ccc3Oc3cc(cc1c23)[N+]([O-])=O)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6681 |
| logD: | 5.6681 |
| logSw: | -5.6566 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.216 |
| InChI Key: | QSWROISQSKQHEU-UHFFFAOYSA-N |