ethyl 4-(4-chlorophenyl)-1-ethyl-6-{[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-chlorophenyl)-1-ethyl-6-{[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-chlorophenyl)-1-ethyl-6-{[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-0910 |
| Compound Name: | ethyl 4-(4-chlorophenyl)-1-ethyl-6-{[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 543.04 |
| Molecular Formula: | C28 H32 Cl F N4 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCCN(CC2)C(c2cccc(c2)F)=O)=C(C(c2ccc(cc2)[Cl])NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.706 |
| logD: | 2.4409 |
| logSw: | -4.4023 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.269 |
| InChI Key: | WLVKHINJNWRSKH-VWLOTQADSA-N |