8-[(4-methoxyphenyl)acetyl]-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-[(4-methoxyphenyl)acetyl]-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-[(4-methoxyphenyl)acetyl]-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0428 |
| Compound Name: | 8-[(4-methoxyphenyl)acetyl]-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C25 H31 N3 O3 |
| Smiles: | Cc1cccc(CN2CCN3CCN(CCC3C2=O)C(Cc2ccc(cc2)OC)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8329 |
| logD: | 2.8271 |
| logSw: | -3.0668 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.819 |
| InChI Key: | QCPQTTARZCVIRU-QHCPKHFHSA-N |