7-(2,6-dimethoxypyridine-3-carbonyl)-2-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
7-(2,6-dimethoxypyridine-3-carbonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(2,6-dimethoxypyridine-3-carbonyl)-2-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: | S636-0545 |
| Compound Name: | 7-(2,6-dimethoxypyridine-3-carbonyl)-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C15 H19 N5 O4 |
| Smiles: | CN1C(N2CCN(CCC2=N1)C(c1ccc(nc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1377 |
| logD: | 1.1377 |
| logSw: | -2.0633 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.284 |
| InChI Key: | LVDCRBZJXVKXNT-UHFFFAOYSA-N |