ethyl 6-{[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-4-(4-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-4-(4-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-4-(4-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-9779 |
| Compound Name: | ethyl 6-{[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-4-(4-fluorophenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 512.56 |
| Molecular Formula: | C27 H30 F2 N4 O4 |
| Smiles: | CCOC(C1C(c2ccc(cc2)F)NC(N(C)C=1CN1CCCN(CC1)C(c1cccc(c1)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5638 |
| logD: | 1.1774 |
| logSw: | -2.9175 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.31 |
| InChI Key: | PVXDYJRPQJFZGC-DEOSSOPVSA-N |