7-[(2-chloro-6-fluorophenyl)acetyl]-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-chloro-6-fluorophenyl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(2-chloro-6-fluorophenyl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0080 |
| Compound Name: | 7-[(2-chloro-6-fluorophenyl)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 324.74 |
| Molecular Formula: | C14 H14 Cl F N4 O2 |
| Smiles: | C1CN(CCN2C1=NNC2=O)C(Cc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7675 |
| logD: | 1.761 |
| logSw: | -2.5755 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.046 |
| InChI Key: | AUQJKOWLJNGPSF-UHFFFAOYSA-N |