methyl 3-{[2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-methyl-1,3-thiazole-5-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-methyl-1,3-thiazole-5-carbonyl]amino}benzoate
methyl 3-{[2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-methyl-1,3-thiazole-5-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | P611-0505 |
| Compound Name: | methyl 3-{[2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-methyl-1,3-thiazole-5-carbonyl]amino}benzoate |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | CCn1cc(c2cccnc12)c1nc(C)c(C(Nc2cccc(c2)C(=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0977 |
| logD: | 4.094 |
| logSw: | -4.1386 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.449 |
| InChI Key: | IIYOBBLIWSEDFK-UHFFFAOYSA-N |