9-(3-methylbenzoyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(3-methylbenzoyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(3-methylbenzoyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0017 |
| Compound Name: | 9-(3-methylbenzoyl)octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 287.36 |
| Molecular Formula: | C16 H21 N3 O2 |
| Smiles: | Cc1cccc(c1)C(N1CCCN2CCNC(C2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4635 |
| logD: | 0.4482 |
| logSw: | -1.8465 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.39 |
| InChI Key: | QBZUZPYBJRTEIC-AWEZNQCLSA-N |