methyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-8298 |
| Compound Name: | methyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 558.61 |
| Molecular Formula: | C30 H24 F2 N4 O3 S |
| Smiles: | COC(c1c2CCC(Cc2sc1NC(c1cnn2c(cc(c3ccccc3)nc12)C(F)F)=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4944 |
| logD: | 3.2098 |
| logSw: | -5.6443 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.876 |
| InChI Key: | ZWILIWUKMBFJCT-LJQANCHMSA-N |