7-(3-phenylpropanoyl)-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-(3-phenylpropanoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
7-(3-phenylpropanoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
Compound characteristics
| Compound ID: | S636-0151 |
| Compound Name: | 7-(3-phenylpropanoyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one |
| Molecular Weight: | 286.33 |
| Molecular Formula: | C15 H18 N4 O2 |
| Smiles: | C1CN(CCN2C1=NNC2=O)C(CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4145 |
| logD: | 1.408 |
| logSw: | -1.6449 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.046 |
| InChI Key: | RISSSRSJBBSLKK-UHFFFAOYSA-N |