[4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-6-oxo-1-(propan-2-yl)-1H-pyrazolo[3,4-b][1,3]thiazolo[5,4-e]pyridin-7(6H)-yl]acetonitrile
Chemical Structure Depiction of
[4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-6-oxo-1-(propan-2-yl)-1H-pyrazolo[3,4-b][1,3]thiazolo[5,4-e]pyridin-7(6H)-yl]acetonitrile
[4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-6-oxo-1-(propan-2-yl)-1H-pyrazolo[3,4-b][1,3]thiazolo[5,4-e]pyridin-7(6H)-yl]acetonitrile
Compound characteristics
| Compound ID: | 8020-7143 |
| Compound Name: | [4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-6-oxo-1-(propan-2-yl)-1H-pyrazolo[3,4-b][1,3]thiazolo[5,4-e]pyridin-7(6H)-yl]acetonitrile |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C20 H17 N5 O4 S |
| Smiles: | CC(C)n1c2c(cn1)c(c1cc(c3c(c1)OCO3)OC)c1c(n2)N(CC#N)C(=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.5079 |
| logD: | 3.5079 |
| logSw: | -3.9965 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.641 |
| InChI Key: | GPTHIQKGIYNJCG-UHFFFAOYSA-N |