7-[3-(1H-benzimidazol-2-yl)propanoyl]-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Chemical Structure Depiction of
7-[3-(1H-benzimidazol-2-yl)propanoyl]-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
7-[3-(1H-benzimidazol-2-yl)propanoyl]-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one
Compound characteristics
| Compound ID: | S854-0592 |
| Compound Name: | 7-[3-(1H-benzimidazol-2-yl)propanoyl]-2-propyl-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3(2H)-one |
| Molecular Weight: | 354.41 |
| Molecular Formula: | C18 H22 N6 O2 |
| Smiles: | CCCN1C(N2CCN(CC2=N1)C(CCc1nc2ccccc2[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8543 |
| logD: | 1.7868 |
| logSw: | -2.2318 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.578 |
| InChI Key: | VBBRWXGWFCCXPB-UHFFFAOYSA-N |