1-(4-{7-[(4-fluorophenoxy)acetyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidin-1-yl)-3-methylbutan-1-one
Chemical Structure Depiction of
1-(4-{7-[(4-fluorophenoxy)acetyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidin-1-yl)-3-methylbutan-1-one
1-(4-{7-[(4-fluorophenoxy)acetyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidin-1-yl)-3-methylbutan-1-one
Compound characteristics
| Compound ID: | S903-1353 |
| Compound Name: | 1-(4-{7-[(4-fluorophenoxy)acetyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidin-1-yl)-3-methylbutan-1-one |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C23 H30 F N5 O3 |
| Smiles: | CC(C)CC(N1CCC(CC1)c1nnc2CN(CCn12)C(COc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5589 |
| logD: | 1.5586 |
| logSw: | -1.9675 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.685 |
| InChI Key: | PURYMZTWUAHBAI-UHFFFAOYSA-N |