N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-({5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-({5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-({5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8017-4748 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-({5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 660.68 |
| Molecular Formula: | C32 H27 F3 N8 O3 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSc1nnc(c2cc(c3ccc(cc3)OC)n[nH]2)n1c1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4342 |
| logD: | 4.4052 |
| logSw: | -4.3765 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.976 |
| InChI Key: | WEKOVAGUOHTGOV-UHFFFAOYSA-N |