methyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-8555 |
| Compound Name: | methyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 496.53 |
| Molecular Formula: | C25 H22 F2 N4 O3 S |
| Smiles: | COC(c1c2CCCCCc2sc1NC(c1cnn2c(cc(c3ccccc3)nc12)C(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3847 |
| logD: | 2.0794 |
| logSw: | -5.278 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.479 |
| InChI Key: | SURVAKILOGSCPI-UHFFFAOYSA-N |