8-[(3-methylphenoxy)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-[(3-methylphenoxy)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-[(3-methylphenoxy)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0052 |
| Compound Name: | 8-[(3-methylphenoxy)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 317.39 |
| Molecular Formula: | C17 H23 N3 O3 |
| Smiles: | Cc1cccc(c1)OCC(N1CCC2C(NCCN2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4098 |
| logD: | 0.311 |
| logSw: | -1.903 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.428 |
| InChI Key: | JBHHBSQQNDIYBS-HNNXBMFYSA-N |