N-{[4-(methylsulfanyl)phenyl]methyl}-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
Compound characteristics
| Compound ID: | L250-1088 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C29 H29 N3 O3 S |
| Smiles: | [H]C(C1CCN(CC1)C(c1ccc2c(c1)oc(c1ccccc1)n2)=O)C(NCc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9129 |
| logD: | 4.9129 |
| logSw: | -4.7566 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.897 |
| InChI Key: | RUMIVXSCIURJOC-UHFFFAOYSA-N |