2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C200-2420 |
| Compound Name: | 2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C21 H22 N4 O3 S2 |
| Smiles: | Cc1cccc(c1)NC(CSc1ncc(c(N)n1)S(c1ccc(C)c(C)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9521 |
| logD: | 3.9521 |
| logSw: | -3.8707 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.129 |
| InChI Key: | XFGGJBLBYVPMAG-UHFFFAOYSA-N |