N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)-1H-pyrazole-3-carboxamide
N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-1808 |
| Compound Name: | N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(difluoromethyl)-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C18 H22 F2 N4 O2 S |
| Smiles: | CC(C)(C)C1CCc2c(C(N)=O)c(NC(c3ccn(C(F)F)n3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2064 |
| logD: | 1.382 |
| logSw: | -2.7785 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.866 |
| InChI Key: | HITQKGMVOGMEOP-SECBINFHSA-N |