N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
Compound characteristics
| Compound ID: | P611-0522 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(1-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | CCn1cc(c2cccnc12)c1nc(C)c(C(NCc2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5366 |
| logD: | 3.5331 |
| logSw: | -3.683 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.713 |
| InChI Key: | MXQYNQFTJKMQBS-UHFFFAOYSA-N |