{7-[(2-chloro-6-fluorophenyl)acetyl]-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl}acetonitrile
Chemical Structure Depiction of
{7-[(2-chloro-6-fluorophenyl)acetyl]-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl}acetonitrile
{7-[(2-chloro-6-fluorophenyl)acetyl]-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl}acetonitrile
Compound characteristics
| Compound ID: | S636-2567 |
| Compound Name: | {7-[(2-chloro-6-fluorophenyl)acetyl]-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl}acetonitrile |
| Molecular Weight: | 363.78 |
| Molecular Formula: | C16 H15 Cl F N5 O2 |
| Smiles: | C1CN(CCN2C1=NN(CC#N)C2=O)C(Cc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3889 |
| logD: | 1.3889 |
| logSw: | -2.4838 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 67.186 |
| InChI Key: | LNODTFKLRPBDMX-UHFFFAOYSA-N |