ethyl 4-(2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | M459-3805 |
| Compound Name: | ethyl 4-(2-{[4-(4-benzylpiperidin-1-yl)pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C27 H30 N4 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1nccc(n1)N1CCC(CC1)Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3914 |
| logD: | 6.3913 |
| logSw: | -5.83 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.24 |
| InChI Key: | VSKPYQHQMLBXHI-UHFFFAOYSA-N |