2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(3-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(3-ethylphenyl)acetamide
2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(3-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | E682-0091 |
| Compound Name: | 2-{[4-amino-5-(3,4-dimethylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(3-ethylphenyl)acetamide |
| Molecular Weight: | 456.58 |
| Molecular Formula: | C22 H24 N4 O3 S2 |
| Smiles: | CCc1cccc(c1)NC(CSc1ncc(c(N)n1)S(c1ccc(C)c(C)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3826 |
| logD: | 4.3826 |
| logSw: | -4.2745 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.129 |
| InChI Key: | HOTFDZJIJGQNDC-UHFFFAOYSA-N |