ethyl 4-(3,5-dimethoxyphenyl)-6-{[4-(2-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(3,5-dimethoxyphenyl)-6-{[4-(2-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3,5-dimethoxyphenyl)-6-{[4-(2-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-0979 |
| Compound Name: | ethyl 4-(3,5-dimethoxyphenyl)-6-{[4-(2-fluorobenzoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 554.62 |
| Molecular Formula: | C29 H35 F N4 O6 |
| Smiles: | CCOC(C1C(c2cc(cc(c2)OC)OC)NC(N(C)C=1CN1CCN(C(C)C1)C(c1ccccc1F)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.957 |
| logD: | 2.4429 |
| logSw: | -3.4209 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.285 |
| InChI Key: | IANFOYUXCMZKHM-UHFFFAOYSA-N |