ethyl 4-(2,3-dichlorophenyl)-1-ethyl-2-oxo-6-({4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2,3-dichlorophenyl)-1-ethyl-2-oxo-6-({4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2,3-dichlorophenyl)-1-ethyl-2-oxo-6-({4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V002-4678 |
| Compound Name: | ethyl 4-(2,3-dichlorophenyl)-1-ethyl-2-oxo-6-({4-[4-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 627.49 |
| Molecular Formula: | C29 H31 Cl2 F3 N4 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCCN(CC2)C(c2ccc(cc2)C(F)(F)F)=O)=C(C(c2cccc(c2[Cl])[Cl])NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2881 |
| logD: | 4.023 |
| logSw: | -5.9244 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.269 |
| InChI Key: | GNNVXWHJWCUJHC-VWLOTQADSA-N |