ethyl 6,7-dichloro-3-[4-(phenylmethanesulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 6,7-dichloro-3-[4-(phenylmethanesulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 6,7-dichloro-3-[4-(phenylmethanesulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V001-5930 |
| Compound Name: | ethyl 6,7-dichloro-3-[4-(phenylmethanesulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 523.44 |
| Molecular Formula: | C23 H24 Cl2 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2cc(c(cc2n1)[Cl])[Cl])N1CCCN(CC1)S(Cc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9234 |
| logD: | 4.9234 |
| logSw: | -4.9628 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.825 |
| InChI Key: | KDBANGRQKYPBRM-UHFFFAOYSA-N |