ethyl 6-{[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-1633 |
| Compound Name: | ethyl 6-{[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 562.56 |
| Molecular Formula: | C28 H30 F4 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccccc2C(F)(F)F)NC(N(C)C=1CN1CCCN(CC1)C(c1ccc(cc1)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4773 |
| logD: | 2.0909 |
| logSw: | -3.5546 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.31 |
| InChI Key: | JKJBMUJPRWJAGA-XMMPIXPASA-N |