7-[(3,4-dimethoxyphenyl)acetyl]-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-[(3,4-dimethoxyphenyl)acetyl]-2-(2-methoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(3,4-dimethoxyphenyl)acetyl]-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: | S636-1186 |
| Compound Name: | 7-[(3,4-dimethoxyphenyl)acetyl]-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: | 390.44 |
| Molecular Formula: | C19 H26 N4 O5 |
| Smiles: | COCCN1C(N2CCN(CCC2=N1)C(Cc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6981 |
| logD: | 0.6981 |
| logSw: | -1.6784 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.298 |
| InChI Key: | PDBDLYNPDZJPRU-UHFFFAOYSA-N |