2-[(3-methylphenyl)methyl]-8-(4-phenylbutanoyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
2-[(3-methylphenyl)methyl]-8-(4-phenylbutanoyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
2-[(3-methylphenyl)methyl]-8-(4-phenylbutanoyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0443 |
| Compound Name: | 2-[(3-methylphenyl)methyl]-8-(4-phenylbutanoyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 419.57 |
| Molecular Formula: | C26 H33 N3 O2 |
| Smiles: | Cc1cccc(CN2CCN3CCN(CCC3C2=O)C(CCCc2ccccc2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7403 |
| logD: | 3.7354 |
| logSw: | -3.9491 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.275 |
| InChI Key: | XWPORSWQVRSWMG-DEOSSOPVSA-N |