ethyl 6,7-dichloro-3-{4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 6,7-dichloro-3-{4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate
ethyl 6,7-dichloro-3-{4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V003-0440 |
| Compound Name: | ethyl 6,7-dichloro-3-{4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate |
| Molecular Weight: | 556.37 |
| Molecular Formula: | C24 H22 Cl2 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2cc(c(cc2n1)[Cl])[Cl])N1CCCN(CC1)C(c1ccc(C(F)(F)F)nc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6896 |
| logD: | 5.6896 |
| logSw: | -5.9068 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.061 |
| InChI Key: | ZVKFNYFDAJNEOM-UHFFFAOYSA-N |