8-(azepane-1-sulfonyl)-2-{[3-(trifluoromethyl)phenyl]methyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
8-(azepane-1-sulfonyl)-2-{[3-(trifluoromethyl)phenyl]methyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
8-(azepane-1-sulfonyl)-2-{[3-(trifluoromethyl)phenyl]methyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | M113-0582 |
| Compound Name: | 8-(azepane-1-sulfonyl)-2-{[3-(trifluoromethyl)phenyl]methyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 454.47 |
| Molecular Formula: | C20 H21 F3 N4 O3 S |
| Smiles: | C1CCCN(CC1)S(C1=CC=CN2C1=NN(Cc1cccc(c1)C(F)(F)F)C2=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4994 |
| logD: | 3.4994 |
| logSw: | -3.7864 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.343 |
| InChI Key: | IACWGXBDIRXDLI-UHFFFAOYSA-N |