ethyl 3-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 3-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V018-9926 |
| Compound Name: | ethyl 3-[4-(4-chloro-3-nitrobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 519.96 |
| Molecular Formula: | C22 H22 Cl N5 O6 S |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2ccccc2n1)N1CCCN(CC1)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3568 |
| logD: | 4.3568 |
| logSw: | -4.4761 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 107.011 |
| InChI Key: | WUVQBLDCMJHINP-UHFFFAOYSA-N |