N,N-di(prop-2-en-1-yl)-2-({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N,N-di(prop-2-en-1-yl)-2-({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N,N-di(prop-2-en-1-yl)-2-({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | V030-5991 |
| Compound Name: | N,N-di(prop-2-en-1-yl)-2-({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 459.49 |
| Molecular Formula: | C22 H20 F3 N5 O S |
| Salt: | not_available |
| Smiles: | C=CCN(CC=C)C(CSc1nnc(c2cccnc2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7267 |
| logD: | 3.7225 |
| logSw: | -3.9378 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.414 |
| InChI Key: | BCPQNHVIRYWXEZ-UHFFFAOYSA-N |