2-benzyl-7-[(6-methoxypyridin-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-[(6-methoxypyridin-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-[(6-methoxypyridin-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: | S636-3188 |
| Compound Name: | 2-benzyl-7-[(6-methoxypyridin-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: | 365.43 |
| Molecular Formula: | C20 H23 N5 O2 |
| Smiles: | COc1cccc(CN2CCC3=NN(Cc4ccccc4)C(N3CC2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7925 |
| logD: | 0.9821 |
| logSw: | -2.9581 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.611 |
| InChI Key: | XJPYDWCLLWDZHC-UHFFFAOYSA-N |