N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(2RS)-2-phenylcyclopropane-1-carbonyl]piperazin-1-yl}pyridine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(2RS)-2-phenylcyclopropane-1-carbonyl]piperazin-1-yl}pyridine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(2RS)-2-phenylcyclopropane-1-carbonyl]piperazin-1-yl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | V008-2634 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[(2RS)-2-phenylcyclopropane-1-carbonyl]piperazin-1-yl}pyridine-3-carboxamide |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C28 H28 N4 O4 |
| Salt: | not_available |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1C(C1C[C@H]1c1ccccc1)=O)c1c(cccn1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9718 |
| logD: | 3.9714 |
| logSw: | -4.1477 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.908 |
| InChI Key: | YMOGEHMORHRREX-NQCNTLBGSA-N |