methyl 3-{[4-methyl-2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[4-methyl-2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carbonyl]amino}benzoate
methyl 3-{[4-methyl-2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | P611-0360 |
| Compound Name: | methyl 3-{[4-methyl-2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-5-carbonyl]amino}benzoate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | Cc1c(C(Nc2cccc(c2)C(=O)OC)=O)sc(c2cn(C)c3c2cccn3)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8031 |
| logD: | 3.7986 |
| logSw: | -3.9728 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.281 |
| InChI Key: | WCBJAJISMMTFAL-UHFFFAOYSA-N |