ethyl 1-ethyl-6-{[4-(3-fluorobenzoyl)piperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-6-{[4-(3-fluorobenzoyl)piperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-6-{[4-(3-fluorobenzoyl)piperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V018-6106 |
| Compound Name: | ethyl 1-ethyl-6-{[4-(3-fluorobenzoyl)piperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 586.66 |
| Molecular Formula: | C33 H35 F N4 O5 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(CC2)C(c2cccc(c2)F)=O)=C(C(c2cccc(c2)Oc2ccccc2)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5786 |
| logD: | 4.133 |
| logSw: | -4.2798 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.686 |
| InChI Key: | VXVLYDDZDCEHQC-SSEXGKCCSA-N |