N-(5-methyl-1,2-oxazol-3-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(5-methyl-1,2-oxazol-3-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(5-methyl-1,2-oxazol-3-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-3032 |
| Compound Name: | N-(5-methyl-1,2-oxazol-3-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 476.48 |
| Molecular Formula: | C21 H19 F3 N6 O2 S |
| Smiles: | Cc1cc(NC(CSc2nnc(Cc3cccn3C)n2c2cccc(c2)C(F)(F)F)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.0357 |
| logD: | 4.0205 |
| logSw: | -4.1862 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.531 |
| InChI Key: | KEMTWJIPBKZWOO-UHFFFAOYSA-N |