ethyl 4-(2-chlorophenyl)-6-{[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-chlorophenyl)-6-{[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2-chlorophenyl)-6-{[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V014-1016 |
| Compound Name: | ethyl 4-(2-chlorophenyl)-6-{[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 529.01 |
| Molecular Formula: | C27 H30 Cl F N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccccc2[Cl])NC(N(C)C=1CN1CCCN(CC1)C(c1ccccc1F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3076 |
| logD: | 1.9212 |
| logSw: | -3.7898 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.31 |
| InChI Key: | DLGNYPQDLAAKKU-DEOSSOPVSA-N |