{7-[(4-chlorophenoxy)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-[(4-chlorophenoxy)acetyl]-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-2(5H)-yl}acetonitrile
{7-[(4-chlorophenoxy)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: | S636-2649 |
| Compound Name: | {7-[(4-chlorophenoxy)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: | 361.79 |
| Molecular Formula: | C16 H16 Cl N5 O3 |
| Smiles: | C1CN(CCN2C1=NN(CC#N)C2=O)C(COc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 0.8237 |
| logD: | 0.8237 |
| logSw: | -2.1764 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 74.686 |
| InChI Key: | OPQDZQXNBIFLFH-UHFFFAOYSA-N |