2-benzyl-8-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
2-benzyl-8-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
2-benzyl-8-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0344 |
| Compound Name: | 2-benzyl-8-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C22 H26 F N3 O3 S |
| Smiles: | Cc1cc(ccc1F)S(N1CCC2C(N(CCN2CC1)Cc1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7202 |
| logD: | 2.7202 |
| logSw: | -3.0918 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.865 |
| InChI Key: | DMEGUOOLIAFOHU-OAQYLSRUSA-N |