ethyl 6,7-dichloro-3-{4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 6,7-dichloro-3-{4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate
ethyl 6,7-dichloro-3-{4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V002-6338 |
| Compound Name: | ethyl 6,7-dichloro-3-{4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate |
| Molecular Weight: | 541.36 |
| Molecular Formula: | C24 H21 Cl2 F3 N4 O3 |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2cc(c(cc2n1)[Cl])[Cl])N1CCCN(CC1)C(c1ccccc1C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7013 |
| logD: | 5.7013 |
| logSw: | -5.8471 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.868 |
| InChI Key: | IJIPBVFQCRUYIS-UHFFFAOYSA-N |