2-{[4-amino-5-(4-methylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-benzylacetamide
Chemical Structure Depiction of
2-{[4-amino-5-(4-methylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-benzylacetamide
2-{[4-amino-5-(4-methylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-benzylacetamide
Compound characteristics
| Compound ID: | E682-0175 |
| Compound Name: | 2-{[4-amino-5-(4-methylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-benzylacetamide |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C20 H20 N4 O3 S2 |
| Smiles: | Cc1ccc(cc1)S(c1cnc(nc1N)SCC(NCc1ccccc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8077 |
| logD: | 2.8077 |
| logSw: | -3.3143 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.451 |
| InChI Key: | DEEPAERECWVYGL-UHFFFAOYSA-N |