2-[(3-methylphenyl)methyl]-8-[(thiophen-2-yl)acetyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
2-[(3-methylphenyl)methyl]-8-[(thiophen-2-yl)acetyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
2-[(3-methylphenyl)methyl]-8-[(thiophen-2-yl)acetyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | S993-0813 |
| Compound Name: | 2-[(3-methylphenyl)methyl]-8-[(thiophen-2-yl)acetyl]octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | Cc1cccc(CN2CC(N3CCN(CCC3C2=O)C(Cc2cccs2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8205 |
| logD: | 1.8205 |
| logSw: | -2.317 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.581 |
| InChI Key: | PDPNFUUSRQZNTJ-LJQANCHMSA-N |