ethyl 3-[4-(3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[4-(3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 3-[4-(3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V018-9914 |
| Compound Name: | ethyl 3-[4-(3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 485.52 |
| Molecular Formula: | C22 H23 N5 O6 S |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2ccccc2n1)N1CCCN(CC1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7799 |
| logD: | 3.7799 |
| logSw: | -3.8544 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 107.312 |
| InChI Key: | DZSTWJLOBDFLIG-UHFFFAOYSA-N |