3-methyl-1-(4-{7-[(3-methylphenoxy)acetyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidin-1-yl)butan-1-one
Chemical Structure Depiction of
3-methyl-1-(4-{7-[(3-methylphenoxy)acetyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidin-1-yl)butan-1-one
3-methyl-1-(4-{7-[(3-methylphenoxy)acetyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | S903-1620 |
| Compound Name: | 3-methyl-1-(4-{7-[(3-methylphenoxy)acetyl]-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl}piperidin-1-yl)butan-1-one |
| Molecular Weight: | 439.56 |
| Molecular Formula: | C24 H33 N5 O3 |
| Smiles: | CC(C)CC(N1CCC(CC1)c1nnc2CN(CCn12)C(COc1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0211 |
| logD: | 2.0209 |
| logSw: | -2.4293 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.685 |
| InChI Key: | MPFHDLDONZRGMS-UHFFFAOYSA-N |