N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}pyridine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}pyridine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | V016-9706 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}pyridine-3-carboxamide |
| Molecular Weight: | 548.54 |
| Molecular Formula: | C25 H23 F3 N4 O5 S |
| Salt: | not_available |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1S(c1ccc(cc1)C(F)(F)F)(=O)=O)c1c(cccn1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2363 |
| logD: | 4.2351 |
| logSw: | -4.318 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.719 |
| InChI Key: | KBHLJIPWMXCVMP-UHFFFAOYSA-N |