2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | D285-0311 |
| Compound Name: | 2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | Cc1cccc(c1C)NC(CSC1NC(C(C#N)=C(c2ccc(cc2)C(C)(C)C)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2504 |
| logD: | 1.6974 |
| logSw: | -5.0433 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.89 |
| InChI Key: | XXZQYTXVKOMWTM-UHFFFAOYSA-N |