N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}pyridine-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}pyridine-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | V014-3016 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-[4-(trifluoromethyl)benzene-1-sulfonyl]piperazin-1-yl}pyridine-3-carboxamide |
| Molecular Weight: | 578.61 |
| Molecular Formula: | C27 H29 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(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7738 |
| logD: | 3.7732 |
| logSw: | -3.969 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.706 |
| InChI Key: | STKSCMMTSBTWIR-UHFFFAOYSA-N |