N-[(2,3-dimethoxyphenyl)methyl]-2-[6-(pyrrolidin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-2-[6-(pyrrolidin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide
N-[(2,3-dimethoxyphenyl)methyl]-2-[6-(pyrrolidin-1-yl)pyridin-3-yl]-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | M520-0008 |
| Compound Name: | N-[(2,3-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: | COc1cccc(CNC(c2csc(c3ccc(nc3)N3CCCC3)n2)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 4.4273 |
| logD: | 4.402 |
| logSw: | -4.1212 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.153 |
| InChI Key: | OFDHCOPIXCHZQY-UHFFFAOYSA-N |