2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,5-dimethylphenyl)propanamide
Chemical Structure Depiction of
2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,5-dimethylphenyl)propanamide
2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,5-dimethylphenyl)propanamide
Compound characteristics
| Compound ID: | D490-0746 |
| Compound Name: | 2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,5-dimethylphenyl)propanamide |
| Molecular Weight: | 460.6 |
| Molecular Formula: | C26 H28 N4 O2 S |
| Smiles: | CC(C(Nc1cc(C)ccc1C)=O)SC1NC(C(C#N)=C(c2ccc(cc2)C(C)(C)C)N=1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5129 |
| logD: | 2.4068 |
| logSw: | -5.332 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.103 |
| InChI Key: | PTZCYEBQMGZNIE-KRWDZBQOSA-N |