2-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline
Chemical Structure Depiction of
2-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline
2-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline
Compound characteristics
| Compound ID: | V003-0465 |
| Compound Name: | 2-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-3-phenylquinoxaline |
| Molecular Weight: | 524 |
| Molecular Formula: | C25 H22 Cl N5 O4 S |
| Salt: | not_available |
| Smiles: | C1CN(CCN(C1)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)c1c(c2ccccc2)nc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.5116 |
| logD: | 5.5114 |
| logSw: | -6.0225 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.986 |
| InChI Key: | HTVBFPLFGWOEJU-UHFFFAOYSA-N |