7-[3-chloro-4-(trifluoromethyl)phenyl]-2-ethylpyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one
Chemical Structure Depiction of
7-[3-chloro-4-(trifluoromethyl)phenyl]-2-ethylpyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one
7-[3-chloro-4-(trifluoromethyl)phenyl]-2-ethylpyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one
Compound characteristics
| Compound ID: | Y020-9622 |
| Compound Name: | 7-[3-chloro-4-(trifluoromethyl)phenyl]-2-ethylpyrido[4,3-e][1,2,4]triazolo[5,1-c][1,2,4]triazin-6(7H)-one |
| Molecular Weight: | 394.74 |
| Molecular Formula: | C16 H10 Cl F3 N6 O |
| Smiles: | CCc1nc2N=NC3=C(C=CN(C3=O)c3ccc(c(c3)[Cl])C(F)(F)F)n2n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8887 |
| logD: | 3.8887 |
| logSw: | -4.4253 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 65.099 |
| InChI Key: | KIKOOJFCOBZTSR-UHFFFAOYSA-N |