ethyl 4-(3-chlorophenyl)-6-{[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-chlorophenyl)-6-{[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3-chlorophenyl)-6-{[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V018-3040 |
| Compound Name: | ethyl 4-(3-chlorophenyl)-6-{[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 555.05 |
| Molecular Formula: | C29 H32 Cl F N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2)[Cl])NC(N(CC=C)C=1CN1CCCN(CC1)C(c1ccccc1F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0956 |
| logD: | 2.9455 |
| logSw: | -4.3495 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.522 |
| InChI Key: | VIRFZBRGRNJCFA-SANMLTNESA-N |