7-[(2-ethoxyphenyl)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-ethoxyphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(2-ethoxyphenyl)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: | S636-0256 |
| Compound Name: | 7-[(2-ethoxyphenyl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 288.35 |
| Molecular Formula: | C15 H20 N4 O2 |
| Smiles: | CCOc1ccccc1CN1CCC2=NNC(N2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9773 |
| logD: | 0.8465 |
| logSw: | -2.3176 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.868 |
| InChI Key: | VUIVFMDSGOOBNM-UHFFFAOYSA-N |