7-[(2,3-dimethoxyphenyl)methyl]-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-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(2,3-dimethoxyphenyl)methyl]-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: | S636-0792 |
| Compound Name: | 7-[(2,3-dimethoxyphenyl)methyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 318.37 |
| Molecular Formula: | C16 H22 N4 O3 |
| Smiles: | CN1C(N2CCN(CCC2=N1)Cc1cccc(c1OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5349 |
| logD: | -1.0107 |
| logSw: | -1.7346 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.354 |
| InChI Key: | SOHODHSWZBMUJL-UHFFFAOYSA-N |