8-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
8-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
8-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0030 |
| Compound Name: | 8-(4-fluoro-3-methylbenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 341.4 |
| Molecular Formula: | C15 H20 F N3 O3 S |
| Smiles: | Cc1cc(ccc1F)S(N1CCC2C(NCCN2CC1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.933 |
| logD: | 0.9316 |
| logSw: | -2.4545 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.519 |
| InChI Key: | AHLZQVRDGCQFOQ-CQSZACIVSA-N |