ethyl 6-{[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V016-9504 |
| Compound Name: | ethyl 6-{[3-methyl-4-(2-methylpropanoyl)piperazin-1-yl]methyl}-4-(2-methylphenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 482.62 |
| Molecular Formula: | C27 H38 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccccc2C)NC(N(CC=C)C=1CN1CCN(C(C)C1)C(C(C)C)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5828 |
| logD: | 2.8455 |
| logSw: | -3.3913 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.681 |
| InChI Key: | BBWXCAZZCOKTBB-UHFFFAOYSA-N |