ethyl 4-(2-chlorophenyl)-6-({3-methyl-4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-chlorophenyl)-6-({3-methyl-4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2-chlorophenyl)-6-({3-methyl-4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V008-9499 |
| Compound Name: | ethyl 4-(2-chlorophenyl)-6-({3-methyl-4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-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 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccccc2[Cl])NC(N(CC=C)C=1CN1CCN(C(C)C1)C(NC(C)C)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7196 |
| logD: | 1.8002 |
| logSw: | -3.9353 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.799 |
| InChI Key: | NODRRLYPUYCEEX-UHFFFAOYSA-N |