2-ethyl-8-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
2-ethyl-8-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
2-ethyl-8-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0137 |
| Compound Name: | 2-ethyl-8-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 369.46 |
| Molecular Formula: | C17 H24 F N3 O3 S |
| Smiles: | CCN1CCN2CCN(CCC2C1=O)S(c1ccc(c(C)c1)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.686 |
| logD: | 1.6856 |
| logSw: | -2.5324 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.861 |
| InChI Key: | YYVWVJRURFCKTP-MRXNPFEDSA-N |