2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydronaphtho[1',2':6,7]oxepino[4,3,2-cd]indole
Chemical Structure Depiction of
2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydronaphtho[1',2':6,7]oxepino[4,3,2-cd]indole
2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydronaphtho[1',2':6,7]oxepino[4,3,2-cd]indole
Compound characteristics
| Compound ID: | 8015-4082 |
| Compound Name: | 2-(4-methylbenzene-1-sulfonyl)-4-nitro-1,2-dihydronaphtho[1',2':6,7]oxepino[4,3,2-cd]indole |
| Molecular Weight: | 470.5 |
| Molecular Formula: | C26 H18 N2 O5 S |
| Smiles: | Cc1ccc(cc1)S(N1CC2=Cc3c(ccc4ccccc34)Oc3cc(cc1c23)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0578 |
| logD: | 6.0578 |
| logSw: | -6.8412 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.945 |
| InChI Key: | ICNKVJCRIMHHFF-UHFFFAOYSA-N |