2-benzyl-7-[(5-methylpyridin-2-yl)methyl]-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-[(5-methylpyridin-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
2-benzyl-7-[(5-methylpyridin-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-3150 |
| Compound Name: | 2-benzyl-7-[(5-methylpyridin-2-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C20 H23 N5 O |
| Smiles: | Cc1ccc(CN2CCC3=NN(Cc4ccccc4)C(N3CC2)=O)nc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6828 |
| logD: | 1.7336 |
| logSw: | -2.4739 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.689 |
| InChI Key: | OHJIPUAFOJBCOJ-UHFFFAOYSA-N |