9-[(3-methylphenoxy)acetyl]-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-[(3-methylphenoxy)acetyl]-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-[(3-methylphenoxy)acetyl]-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0742 |
| Compound Name: | 9-[(3-methylphenoxy)acetyl]-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C25 H31 N3 O3 |
| Smiles: | Cc1cccc(CN2CCN3CCCN(CC3C2=O)C(COc2cccc(C)c2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8733 |
| logD: | 2.8679 |
| logSw: | -2.9865 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.708 |
| InChI Key: | HPNVSSZNKBEZDO-QHCPKHFHSA-N |