N-[(2,5-dimethoxyphenyl)methyl]-2-[6-(pyrrolidin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-2-[6-(pyrrolidin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide
N-[(2,5-dimethoxyphenyl)methyl]-2-[6-(pyrrolidin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | M520-0191 |
| Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-2-[6-(pyrrolidin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | COc1ccc(c(CNC(c2csc(c3ccc(nc3)N3CCCC3)n2)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.4864 |
| logD: | 4.4612 |
| logSw: | -4.2274 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.979 |
| InChI Key: | ZBWYZMBTGKTIFR-UHFFFAOYSA-N |