N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-2-(propylsulfanyl)pyridine-3-carboxamide
Chemical Structure Depiction of
N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-2-(propylsulfanyl)pyridine-3-carboxamide
N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-2-(propylsulfanyl)pyridine-3-carboxamide
Compound characteristics
| Compound ID: | V012-1621 |
| Compound Name: | N-[2-chloro-5-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)phenyl]-2-(propylsulfanyl)pyridine-3-carboxamide |
| Molecular Weight: | 427.95 |
| Molecular Formula: | C22 H22 Cl N3 O2 S |
| Salt: | not_available |
| Smiles: | CCCSc1c(cccn1)C(Nc1cc(ccc1[Cl])c1c2CCCCc2no1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.554 |
| logD: | 5.5535 |
| logSw: | -5.8272 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.001 |
| InChI Key: | NKASQOMIBOPCDZ-UHFFFAOYSA-N |