7-[(3,4-diethoxyphenyl)acetyl]-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-[(3,4-diethoxyphenyl)acetyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(3,4-diethoxyphenyl)acetyl]-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: | S636-0710 |
| Compound Name: | 7-[(3,4-diethoxyphenyl)acetyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 374.44 |
| Molecular Formula: | C19 H26 N4 O4 |
| Smiles: | CCOc1ccc(CC(N2CCC3=NN(C)C(N3CC2)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 1.2415 |
| logD: | 1.2415 |
| logSw: | -1.7823 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.816 |
| InChI Key: | VXORUCFGKHGYAI-UHFFFAOYSA-N |