methyl 4-{[2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carbonyl]amino}benzoate
methyl 4-{[2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | P613-0503 |
| Compound Name: | methyl 4-{[2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole-4-carbonyl]amino}benzoate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | CCn1cc(c2cccnc12)c1nc(cs1)C(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8844 |
| logD: | 3.8806 |
| logSw: | -3.8922 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.872 |
| InChI Key: | ASBPCHVUPOCPLX-UHFFFAOYSA-N |