2-benzyl-8-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Chemical Structure Depiction of
2-benzyl-8-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
2-benzyl-8-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione
Compound characteristics
| Compound ID: | S993-0331 |
| Compound Name: | 2-benzyl-8-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepine-1,4-dione |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C22 H24 F N3 O4 S |
| Smiles: | Cc1cc(ccc1F)S(N1CCC2C(N(CC(N2CC1)=O)Cc1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1389 |
| logD: | 2.1389 |
| logSw: | -2.6857 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.153 |
| InChI Key: | SJCBUTYTONTSCH-HXUWFJFHSA-N |