(azepan-1-yl){1-[2-chloro-5-(trifluoromethyl)phenyl]-5-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl}methanone
Chemical Structure Depiction of
(azepan-1-yl){1-[2-chloro-5-(trifluoromethyl)phenyl]-5-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl}methanone
(azepan-1-yl){1-[2-chloro-5-(trifluoromethyl)phenyl]-5-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl}methanone
Compound characteristics
| Compound ID: | L806-4564 |
| Compound Name: | (azepan-1-yl){1-[2-chloro-5-(trifluoromethyl)phenyl]-5-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl}methanone |
| Molecular Weight: | 449.86 |
| Molecular Formula: | C21 H19 Cl F3 N5 O |
| Smiles: | C1CCCN(CC1)C(c1c(c2cccnc2)n(c2cc(ccc2[Cl])C(F)(F)F)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0512 |
| logD: | 4.0512 |
| logSw: | -4.4329 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.036 |
| InChI Key: | BTQYPLJEPUGBFN-UHFFFAOYSA-N |