7-(2,6-dimethoxypyridine-3-carbonyl)-2-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-1074 |
| Compound Name: | 7-(2,6-dimethoxypyridine-3-carbonyl)-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C17 H23 N5 O5 |
| Smiles: | COCCN1C(N2CCN(CCC2=N1)C(c1ccc(nc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0856 |
| logD: | 1.0856 |
| logSw: | -2.2478 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.926 |
| InChI Key: | AUNCDAHJKHOZMD-UHFFFAOYSA-N |