2-{[4-amino-5-(4-methylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(4-methylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
2-{[4-amino-5-(4-methylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | E682-0162 |
| Compound Name: | 2-{[4-amino-5-(4-methylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C21 H22 N4 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(c1cnc(nc1N)SCC(Nc1ccc(C)c(C)c1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1138 |
| logD: | 4.1138 |
| logSw: | -4.1594 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.129 |
| InChI Key: | KTLVFYHWKKOIHO-UHFFFAOYSA-N |