ethyl 1-methyl-6-{[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-methyl-6-{[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-methyl-6-{[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-1597 |
| Compound Name: | ethyl 1-methyl-6-{[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]methyl}-2-oxo-4-(3-phenoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 582.7 |
| Molecular Formula: | C34 H38 N4 O5 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2)Oc2ccccc2)NC(N(C)C=1CN1CCN(C(C)C1)C(c1ccc(C)cc1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0295 |
| logD: | 4.5154 |
| logSw: | -4.5973 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.945 |
| InChI Key: | IOLXHZVRXDXCEN-UHFFFAOYSA-N |