[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl][3-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl][3-(trifluoromethyl)phenyl]methanone
[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl][3-(trifluoromethyl)phenyl]methanone
Compound characteristics
| Compound ID: | T404-1071 |
| Compound Name: | [4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl][3-(trifluoromethyl)phenyl]methanone |
| Molecular Weight: | 423.82 |
| Molecular Formula: | C19 H17 Cl F3 N5 O |
| Smiles: | C1CN(CCN(C1)c1nnc2ccc(cn12)[Cl])C(c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3954 |
| logD: | 3.3954 |
| logSw: | -3.8104 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.522 |
| InChI Key: | IMTJHJAYCUPSLL-UHFFFAOYSA-N |