N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | P611-0385 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methyl-2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | Cc1c(C(NCc2ccc3c(c2)OCO3)=O)sc(c2cn(C)c3c2cccn3)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.242 |
| logD: | 3.2377 |
| logSw: | -3.334 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.544 |
| InChI Key: | VVEXJNWLYMWCKK-UHFFFAOYSA-N |