2-benzyl-9-(5-fluoro-2-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
2-benzyl-9-(5-fluoro-2-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
2-benzyl-9-(5-fluoro-2-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | SD67-0504 |
| Compound Name: | 2-benzyl-9-(5-fluoro-2-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C22 H24 F N3 O4 S |
| Smiles: | Cc1ccc(cc1S(N1CCCN2C(C1)C(N(CC2=O)Cc1ccccc1)=O)(=O)=O)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8033 |
| logD: | 1.8033 |
| logSw: | -2.5371 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.086 |
| InChI Key: | OQHREWYXXOVZKL-IBGZPJMESA-N |