N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,3,5-trifluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,3,5-trifluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,3,5-trifluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | V012-0206 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(2,3,5-trifluorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide |
| Molecular Weight: | 528.53 |
| Molecular Formula: | C27 H27 F3 N4 O4 |
| Salt: | not_available |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1C(c1cc(cc(c1F)F)F)=O)c1c(cccn1)C(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3904 |
| logD: | 3.3901 |
| logSw: | -3.7131 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.644 |
| InChI Key: | GROSUWZVIMFOGV-UHFFFAOYSA-N |