N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | K643-0365 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-oxo-5-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl}sulfanyl)acetamide |
| Molecular Weight: | 503.46 |
| Molecular Formula: | C22 H16 F3 N5 O4 S |
| Smiles: | C1COc2cc(ccc2O1)NC(CSC1=Nc2c(cn[nH]2)C(N1c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4347 |
| logD: | 2.4333 |
| logSw: | -3.0422 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.399 |
| InChI Key: | JVQOGZKYJOYFKH-UHFFFAOYSA-N |