7-[3-(2-methoxyphenyl)propanoyl]-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]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[3-(2-methoxyphenyl)propanoyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0149 |
| Compound Name: | 7-[3-(2-methoxyphenyl)propanoyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 316.36 |
| Molecular Formula: | C16 H20 N4 O3 |
| Smiles: | COc1ccccc1CCC(N1CCC2=NNC(N2CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4025 |
| logD: | 1.396 |
| logSw: | -1.8523 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.676 |
| InChI Key: | MMRHVLPMDZDROK-UHFFFAOYSA-N |