N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chlorophenyl)methyl]sulfanyl}pyridine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chlorophenyl)methyl]sulfanyl}pyridine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chlorophenyl)methyl]sulfanyl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | K845-0075 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[(2-chlorophenyl)methyl]sulfanyl}pyridine-3-carboxamide |
| Molecular Weight: | 412.89 |
| Molecular Formula: | C21 H17 Cl N2 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cccnc1SCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6386 |
| logD: | 4.6386 |
| logSw: | -4.9052 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.675 |
| InChI Key: | RNAUIWFHBVBUCX-UHFFFAOYSA-N |