2-[(3-methylphenyl)methyl]-8-[(thiophen-3-yl)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
2-[(3-methylphenyl)methyl]-8-[(thiophen-3-yl)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
2-[(3-methylphenyl)methyl]-8-[(thiophen-3-yl)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0441 |
| Compound Name: | 2-[(3-methylphenyl)methyl]-8-[(thiophen-3-yl)acetyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C22 H27 N3 O2 S |
| Smiles: | Cc1cccc(CN2CCN3CCN(CCC3C2=O)C(Cc2ccsc2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.602 |
| logD: | 2.5962 |
| logSw: | -2.6955 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.293 |
| InChI Key: | MMJURRZPKWHIMG-HXUWFJFHSA-N |