8-(3-phenylpropanoyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-(3-phenylpropanoyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-(3-phenylpropanoyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0049 |
| Compound Name: | 8-(3-phenylpropanoyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 301.39 |
| Molecular Formula: | C17 H23 N3 O2 |
| Smiles: | C1CN(CCN2CCNC(C12)=O)C(CCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7254 |
| logD: | 0.6334 |
| logSw: | -1.619 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.929 |
| InChI Key: | KLTYHOKWNOOCTQ-HNNXBMFYSA-N |