ethyl 4-(3-chlorophenyl)-6-{[3-methyl-4-(thiophene-2-carbonyl)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-(3-chlorophenyl)-6-{[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(3-chlorophenyl)-6-{[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-4815 |
| Compound Name: | ethyl 4-(3-chlorophenyl)-6-{[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1-(prop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 543.08 |
| Molecular Formula: | C27 H31 Cl N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2cccc(c2)[Cl])NC(N(CC=C)C=1CN1CCN(C(C)C1)C(c1cccs1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2596 |
| logD: | 3.9134 |
| logSw: | -4.4241 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.428 |
| InChI Key: | YGQWRPBNSZUKPZ-UHFFFAOYSA-N |