8-(4-fluoro-3-methylbenzene-1-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-(4-fluoro-3-methylbenzene-1-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-(4-fluoro-3-methylbenzene-1-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0446 |
| Compound Name: | 8-(4-fluoro-3-methylbenzene-1-sulfonyl)-2-[(3-methylphenyl)methyl]octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C23 H28 F N3 O3 S |
| Smiles: | Cc1cccc(CN2CCN3CCN(CCC3C2=O)S(c2ccc(c(C)c2)F)(=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3668 |
| logD: | 3.3668 |
| logSw: | -3.5519 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.865 |
| InChI Key: | KMJUUHSYSYYBES-JOCHJYFZSA-N |