2-({5-sulfanyl-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)phthalazin-1(2H)-one
Chemical Structure Depiction of
2-({5-sulfanyl-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)phthalazin-1(2H)-one
2-({5-sulfanyl-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)phthalazin-1(2H)-one
Compound characteristics
| Compound ID: | 8017-6696 |
| Compound Name: | 2-({5-sulfanyl-4-[2-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}methyl)phthalazin-1(2H)-one |
| Molecular Weight: | 403.38 |
| Molecular Formula: | C18 H12 F3 N5 O S |
| Smiles: | C(c1nnc(n1c1ccccc1C(F)(F)F)S)N1C(c2ccccc2C=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9086 |
| logD: | -0.2985 |
| logSw: | -2.7668 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.396 |
| InChI Key: | IBCBBTNSMHLWNE-UHFFFAOYSA-N |