ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-4-(4-chlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-4-(4-chlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-4-(4-chlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-4656 |
| Compound Name: | ethyl 6-{[4-(tert-butylcarbamoyl)piperazin-1-yl]methyl}-4-(4-chlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 518.06 |
| Molecular Formula: | C26 H36 Cl N5 O4 |
| Smiles: | CCOC(C1C(c2ccc(cc2)[Cl])NC(N(CC=C)C=1CN1CCN(CC1)C(NC(C)(C)C)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6057 |
| logD: | 1.6618 |
| logSw: | -4.1393 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.43 |
| InChI Key: | KFNANOLSCVSTIQ-QFIPXVFZSA-N |