2-(4-fluorophenyl)-1-[4-(5-methyl[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-fluorophenyl)-1-[4-(5-methyl[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethan-1-one
2-(4-fluorophenyl)-1-[4-(5-methyl[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | T404-0974 |
| Compound Name: | 2-(4-fluorophenyl)-1-[4-(5-methyl[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 367.42 |
| Molecular Formula: | C20 H22 F N5 O |
| Smiles: | Cc1cccc2nnc(N3CCCN(CC3)C(Cc3ccc(cc3)F)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 2.4689 |
| logD: | 2.4687 |
| logSw: | -2.3392 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.746 |
| InChI Key: | QRPFWFQRYKOAMZ-UHFFFAOYSA-N |