ethyl 6-[(4-benzoyl-3-methylpiperazin-1-yl)methyl]-4-(3-chlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-[(4-benzoyl-3-methylpiperazin-1-yl)methyl]-4-(3-chlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-[(4-benzoyl-3-methylpiperazin-1-yl)methyl]-4-(3-chlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-8675 |
| Compound Name: | ethyl 6-[(4-benzoyl-3-methylpiperazin-1-yl)methyl]-4-(3-chlorophenyl)-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 537.06 |
| Molecular Formula: | C29 H33 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2)[Cl])NC(N(CC=C)C=1CN1CCN(C(C)C1)C(c1ccccc1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2236 |
| logD: | 3.8666 |
| logSw: | -4.4121 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.41 |
| InChI Key: | HHMFLAROTKJMGY-UHFFFAOYSA-N |