7-(2-fluorobenzoyl)-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-fluorobenzoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(2-fluorobenzoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0017 |
| Compound Name: | 7-(2-fluorobenzoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 276.27 |
| Molecular Formula: | C13 H13 F N4 O2 |
| Smiles: | C1CN(CCN2C1=NNC2=O)C(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 0.962 |
| logD: | 0.9555 |
| logSw: | -2.1214 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.573 |
| InChI Key: | DWKVCVCSYFYJDG-UHFFFAOYSA-N |