ethyl 4-(2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | E682-0016 |
| Compound Name: | ethyl 4-(2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C21 H20 N4 O5 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1ncc(c(N)n1)S(c1ccccc1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1194 |
| logD: | 3.1193 |
| logSw: | -3.4031 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.882 |
| InChI Key: | HQYLUBUKAASFIW-UHFFFAOYSA-N |