2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-cyclohexyl-N-methylacetamide
Chemical Structure Depiction of
2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-cyclohexyl-N-methylacetamide
2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-cyclohexyl-N-methylacetamide
Compound characteristics
| Compound ID: | D285-0300 |
| Compound Name: | 2-{[4-(4-tert-butylphenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-cyclohexyl-N-methylacetamide |
| Molecular Weight: | 438.59 |
| Molecular Formula: | C24 H30 N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C1=C(C#N)C(NC(=N1)SCC(N(C)C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7244 |
| logD: | 1.1714 |
| logSw: | -4.3553 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.385 |
| InChI Key: | POSMACBQQYMFTM-UHFFFAOYSA-N |