2-[4-(3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline
Chemical Structure Depiction of
2-[4-(3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline
2-[4-(3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline
Compound characteristics
| Compound ID: | V031-2316 |
| Compound Name: | 2-[4-(3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C25 H23 N5 O4 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)c1c(c2ccccc2)nc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9346 |
| logD: | 4.9345 |
| logSw: | -4.9805 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.287 |
| InChI Key: | XDNPUONRXPXEAJ-UHFFFAOYSA-N |