ethyl 6,7-dichloro-3-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 6,7-dichloro-3-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate
ethyl 6,7-dichloro-3-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V001-5882 |
| Compound Name: | ethyl 6,7-dichloro-3-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate |
| Molecular Weight: | 577.41 |
| Molecular Formula: | C23 H21 Cl2 F3 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2cc(c(cc2n1)[Cl])[Cl])N1CCCN(CC1)S(c1cccc(c1)C(F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1472 |
| logD: | 6.1472 |
| logSw: | -6.218 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.931 |
| InChI Key: | JISSQEQPIOXRAH-UHFFFAOYSA-N |