N-(butan-2-yl)-2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
N-(butan-2-yl)-2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D285-0302 |
| Compound Name: | N-(butan-2-yl)-2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 398.53 |
| Molecular Formula: | C21 H26 N4 O2 S |
| Smiles: | CCC(C)NC(CSC1NC(C(C#N)=C(c2ccc(cc2)C(C)(C)C)N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7671 |
| logD: | 0.2141 |
| logSw: | -3.9323 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.623 |
| InChI Key: | XSVMGHRUEIBGEN-ZDUSSCGKSA-N |