7-[(2-methylphenyl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Chemical Structure Depiction of
7-[(2-methylphenyl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(2-methylphenyl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0150 |
| Compound Name: | 7-[(2-methylphenyl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 286.33 |
| Molecular Formula: | C15 H18 N4 O2 |
| Smiles: | Cc1ccccc1CC(N1CCC2=NNC(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8626 |
| logD: | 1.8561 |
| logSw: | -1.9298 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.046 |
| InChI Key: | ZJBYSYWDIIPIKS-UHFFFAOYSA-N |