ethyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 6466-1291 |
| Compound Name: | ethyl 2-{[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 510.56 |
| Molecular Formula: | C26 H24 F2 N4 O3 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(c1cnn2c(cc(c3ccccc3)nc12)C(F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7051 |
| logD: | 2.3998 |
| logSw: | -5.3603 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.728 |
| InChI Key: | GZMKKOXCXUUFFI-CQSZACIVSA-N |