ethyl 6-({3-methyl-4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-({3-methyl-4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-({3-methyl-4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V019-5423 |
| Compound Name: | ethyl 6-({3-methyl-4-[(propan-2-yl)carbamoyl]piperazin-1-yl}methyl)-2-oxo-1-(prop-2-en-1-yl)-4-(thiophen-3-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 489.64 |
| Molecular Formula: | C24 H35 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1C(c2ccsc2)NC(N(CC=C)C=1CN1CCN(C(C)C1)C(NC(C)C)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8546 |
| logD: | 0.9352 |
| logSw: | -3.1877 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.817 |
| InChI Key: | IVVABRFKSPXNQN-UHFFFAOYSA-N |