(4-methoxyphenyl){4-[6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
(4-methoxyphenyl){4-[6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,4-diazepan-1-yl}methanone
(4-methoxyphenyl){4-[6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | T404-1187 |
| Compound Name: | (4-methoxyphenyl){4-[6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 419.4 |
| Molecular Formula: | C20 H20 F3 N5 O2 |
| Smiles: | COc1ccc(cc1)C(N1CCCN(CC1)c1nnc2ccc(cn12)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7429 |
| logD: | 2.7429 |
| logSw: | -2.8387 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.066 |
| InChI Key: | KGXVNNOREFYQBM-UHFFFAOYSA-N |