7-[(4-chlorophenoxy)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-[(4-chlorophenoxy)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-[(4-chlorophenoxy)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: | S636-0163 |
| Compound Name: | 7-[(4-chlorophenoxy)acetyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 322.75 |
| Molecular Formula: | C14 H15 Cl N4 O3 |
| Smiles: | C1CN(CCN2C1=NNC2=O)C(COc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2023 |
| logD: | 1.1959 |
| logSw: | -2.5963 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.545 |
| InChI Key: | VPYDLHVISRZKMM-UHFFFAOYSA-N |