2-benzyl-7-(2,6-dimethoxypyridine-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-(2,6-dimethoxypyridine-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-(2,6-dimethoxypyridine-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: | S636-5902 |
| Compound Name: | 2-benzyl-7-(2,6-dimethoxypyridine-3-carbonyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 409.44 |
| Molecular Formula: | C21 H23 N5 O4 |
| Smiles: | COc1ccc(C(N2CCC3=NN(Cc4ccccc4)C(N3CC2)=O)=O)c(n1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.713 |
| logD: | 2.713 |
| logSw: | -3.0712 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.333 |
| InChI Key: | DEDYNJNJDUMOCL-UHFFFAOYSA-N |