ethyl 6-[(4-benzoyl-1,4-diazepan-1-yl)methyl]-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(4-benzoyl-1,4-diazepan-1-yl)methyl]-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(4-benzoyl-1,4-diazepan-1-yl)methyl]-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-1631 |
| Compound Name: | ethyl 6-[(4-benzoyl-1,4-diazepan-1-yl)methyl]-1-methyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 544.57 |
| Molecular Formula: | C28 H31 F3 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(F)(F)F)NC(N(C)C=1CN1CCCN(CC1)C(c1ccccc1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2638 |
| logD: | 1.8774 |
| logSw: | -3.3122 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.31 |
| InChI Key: | IEIYKPVMQLMYEH-DEOSSOPVSA-N |