[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl][5-(trifluoromethyl)thiophen-2-yl]methanone
Chemical Structure Depiction of
[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl][5-(trifluoromethyl)thiophen-2-yl]methanone
[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl][5-(trifluoromethyl)thiophen-2-yl]methanone
Compound characteristics
| Compound ID: | T404-1149 |
| Compound Name: | [4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl][5-(trifluoromethyl)thiophen-2-yl]methanone |
| Molecular Weight: | 429.85 |
| Molecular Formula: | C17 H15 Cl F3 N5 O S |
| Smiles: | C1CN(CCN(C1)c1nnc2ccc(cn12)[Cl])C(c1ccc(C(F)(F)F)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0233 |
| logD: | 4.0232 |
| logSw: | -4.3438 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.54 |
| InChI Key: | BKYCYFOUFAIZEB-UHFFFAOYSA-N |