8-[(3-methylphenyl)acetyl]-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-[(3-methylphenyl)acetyl]-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-[(3-methylphenyl)acetyl]-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0508 |
| Compound Name: | 8-[(3-methylphenyl)acetyl]-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 405.54 |
| Molecular Formula: | C25 H31 N3 O2 |
| Smiles: | Cc1cccc(CC(N2CCC3C(N(CCN3CC2)Cc2cccc(C)c2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5427 |
| logD: | 3.5369 |
| logSw: | -3.472 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.275 |
| InChI Key: | ZWXOFSJMLNZVOG-QHCPKHFHSA-N |