2-benzyl-7-[(2-methyl-1H-imidazol-1-yl)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
2-benzyl-7-[(2-methyl-1H-imidazol-1-yl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-[(2-methyl-1H-imidazol-1-yl)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: | S636-5408 |
| Compound Name: | 2-benzyl-7-[(2-methyl-1H-imidazol-1-yl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 366.42 |
| Molecular Formula: | C19 H22 N6 O2 |
| Smiles: | Cc1nccn1CC(N1CCC2=NN(Cc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5822 |
| logD: | -0.4428 |
| logSw: | -1.4379 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.003 |
| InChI Key: | LCFIRGWVPQYQJU-UHFFFAOYSA-N |