2-benzyl-9-(3-fluorobenzene-1-sulfonyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
2-benzyl-9-(3-fluorobenzene-1-sulfonyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
2-benzyl-9-(3-fluorobenzene-1-sulfonyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | SD67-0496 |
| Compound Name: | 2-benzyl-9-(3-fluorobenzene-1-sulfonyl)octahydropyrazino[1,2-a][1,4]diazepine-1,4-dione |
| Molecular Weight: | 431.48 |
| Molecular Formula: | C21 H22 F N3 O4 S |
| Smiles: | C1CN2C(CN(C1)S(c1cccc(c1)F)(=O)=O)C(N(CC2=O)Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4958 |
| logD: | 1.4958 |
| logSw: | -2.3654 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.086 |
| InChI Key: | PWBBDKMUTWDTPP-IBGZPJMESA-N |