(1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methanone
Chemical Structure Depiction of
(1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methanone
(1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methanone
Compound characteristics
| Compound ID: | G637-3607 |
| Compound Name: | (1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)methanone |
| Molecular Weight: | 543.59 |
| Molecular Formula: | C27 H27 F2 N3 O5 S |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(C1CCN(CC1)S(c1c(C)noc1/C=C/c1ccc(cc1F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.319 |
| logD: | 4.319 |
| logSw: | -4.3454 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.729 |
| InChI Key: | DJHNGKSHIRSCEL-UHFFFAOYSA-N |