2-{[4-amino-5-(4-methylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Chemical Structure Depiction of
2-{[4-amino-5-(4-methylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
2-{[4-amino-5-(4-methylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
Compound characteristics
Compound ID: | E682-0171 |
Compound Name: | 2-{[4-amino-5-(4-methylbenzene-1-sulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide |
Molecular Weight: | 458.56 |
Molecular Formula: | C21 H22 N4 O4 S2 |
Smiles: | CCOc1ccc(cc1)NC(CSc1ncc(c(N)n1)S(c1ccc(C)cc1)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.4954 |
logD: | 3.4954 |
logSw: | -3.6906 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 98.252 |
InChI Key: | KPXKSSNHUJLNLQ-UHFFFAOYSA-N |