N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
Chemical Structure Depiction of
N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide
Compound characteristics
| Compound ID: | C071-0690 |
| Compound Name: | N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-4-[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidine-2-sulfonyl]butanamide |
| Molecular Weight: | 549.59 |
| Molecular Formula: | C24 H22 F3 N5 O3 S2 |
| Smiles: | Cc1ccccc1Cn1ccc(NC(CCCS(c2nc(cc(C(F)(F)F)n2)c2cccs2)(=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3777 |
| logD: | 4.3694 |
| logSw: | -4.2681 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.976 |
| InChI Key: | GENDDKLVXGZSTE-UHFFFAOYSA-N |