ethyl 4-(2-{[6-(pyrrolidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[6-(pyrrolidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[6-(pyrrolidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | M179-0055 |
| Compound Name: | ethyl 4-(2-{[6-(pyrrolidin-1-yl)pyrimidin-4-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C19 H22 N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1cc(ncn1)N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0044 |
| logD: | 4.0043 |
| logSw: | -4.0202 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.323 |
| InChI Key: | JBLVTQGPTSDBLD-UHFFFAOYSA-N |