8-(2-fluorobenzene-1-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-(2-fluorobenzene-1-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-(2-fluorobenzene-1-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0442 |
| Compound Name: | 8-(2-fluorobenzene-1-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C22 H26 F N3 O3 S |
| Smiles: | Cc1cccc(CN2CCN3CCN(CCC3C2=O)S(c2ccccc2F)(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7331 |
| logD: | 2.733 |
| logSw: | -3.1275 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.865 |
| InChI Key: | YBPIOUCXDCWJSV-HXUWFJFHSA-N |