2-benzyl-7-(6-methylpyridine-3-carbonyl)-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-(6-methylpyridine-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-(6-methylpyridine-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-3058 |
| Compound Name: | 2-benzyl-7-(6-methylpyridine-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 363.42 |
| Molecular Formula: | C20 H21 N5 O2 |
| Smiles: | Cc1ccc(cn1)C(N1CCC2=NN(Cc3ccccc3)C(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7716 |
| logD: | 1.7714 |
| logSw: | -1.8534 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.916 |
| InChI Key: | KHJNGADRAHOTKW-UHFFFAOYSA-N |