9-(3,5-dimethoxybenzoyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-(3,5-dimethoxybenzoyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-(3,5-dimethoxybenzoyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0720 |
| Compound Name: | 9-(3,5-dimethoxybenzoyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C25 H31 N3 O4 |
| Smiles: | Cc1cccc(CN2CCN3CCCN(CC3C2=O)C(c2cc(cc(c2)OC)OC)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7692 |
| logD: | 2.7684 |
| logSw: | -2.82 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.823 |
| InChI Key: | GAKARLJYUCEDCW-QHCPKHFHSA-N |