butan-2-yl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
butan-2-yl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
butan-2-yl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-8233 |
| Compound Name: | butan-2-yl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 524.59 |
| Molecular Formula: | C27 H26 F2 N4 O3 S |
| Smiles: | CCC(C)OC(c1c2CCCCc2sc1NC(c1cnn2c(cc(c3ccccc3)nc12)C(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5436 |
| logD: | 3.2383 |
| logSw: | -5.5586 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.29 |
| InChI Key: | MJYGRFXIRVUJJN-HNNXBMFYSA-N |