2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one
2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V015-2114 |
| Compound Name: | 2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 446.49 |
| Molecular Formula: | C22 H21 F3 N4 O S |
| Salt: | not_available |
| Smiles: | C1CCN(C1)C(CSc1nnc(Cc2ccccc2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2902 |
| logD: | 4.2902 |
| logSw: | -4.3656 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.447 |
| InChI Key: | LELLBVOWKUPFIQ-UHFFFAOYSA-N |