7-[3-(2-methoxyphenyl)propanoyl]-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-(2-methoxyphenyl)propanoyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[3-(2-methoxyphenyl)propanoyl]-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: | S636-0681 |
| Compound Name: | 7-[3-(2-methoxyphenyl)propanoyl]-2-methyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 330.38 |
| Molecular Formula: | C17 H22 N4 O3 |
| Smiles: | CN1C(N2CCN(CCC2=N1)C(CCc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4285 |
| logD: | 1.4285 |
| logSw: | -1.5237 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.026 |
| InChI Key: | LXVATLWQYSGXSC-UHFFFAOYSA-N |