ethyl 6-{[4-(2-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(2-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(2-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-1609 |
| Compound Name: | ethyl 6-{[4-(2-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-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: | CCOC(C1C(c2cccc(c2)Oc2ccccc2)NC(N(C)C=1CN1CCN(C(C)C1)C(c1ccccc1F)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6553 |
| logD: | 4.1411 |
| logSw: | -4.353 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.945 |
| InChI Key: | DOFFVQKJVDDXIL-UHFFFAOYSA-N |