ethyl 4-(4-tert-butylphenyl)-1-methyl-6-{[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-tert-butylphenyl)-1-methyl-6-{[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-tert-butylphenyl)-1-methyl-6-{[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V008-9476 |
| Compound Name: | ethyl 4-(4-tert-butylphenyl)-1-methyl-6-{[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 538.71 |
| Molecular Formula: | C29 H38 N4 O4 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)C(C)(C)C)NC(N(C)C=1CN1CCN(C(C)C1)C(c1cccs1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.59 |
| logD: | 4.0893 |
| logSw: | -4.1288 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.215 |
| InChI Key: | OCYNJQIYAHATDB-UHFFFAOYSA-N |