1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]ethan-1-one
Chemical Structure Depiction of
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]ethan-1-one
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]ethan-1-one
Compound characteristics
| Compound ID: | S346-0389 |
| Compound Name: | 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenoxy]ethan-1-one |
| Molecular Weight: | 447.54 |
| Molecular Formula: | C25 H29 N5 O3 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(COc1ccc(cc1)c1nnc2CCCCn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4731 |
| logD: | 2.472 |
| logSw: | -2.4978 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.356 |
| InChI Key: | UROYXNQJQRHZAM-UHFFFAOYSA-N |