9-(1-methylcyclohexane-1-carbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(1-methylcyclohexane-1-carbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(1-methylcyclohexane-1-carbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0714 |
| Compound Name: | 9-(1-methylcyclohexane-1-carbonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 397.56 |
| Molecular Formula: | C24 H35 N3 O2 |
| Smiles: | Cc1cccc(CN2CCN3CCCN(CC3C2=O)C(C2(C)CCCCC2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3496 |
| logD: | 3.3423 |
| logSw: | -3.3644 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.928 |
| InChI Key: | JJXDWDOQPUJGML-NRFANRHFSA-N |