(1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)(3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)methanone
Chemical Structure Depiction of
(1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)(3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)methanone
(1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)(3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)methanone
Compound characteristics
| Compound ID: | G637-3614 |
| Compound Name: | (1-{5-[2-(2,4-difluorophenyl)ethenyl]-3-methyl-1,2-oxazole-4-sulfonyl}piperidin-4-yl)(3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)methanone |
| Molecular Weight: | 559.65 |
| Molecular Formula: | C27 H27 F2 N3 O4 S2 |
| Smiles: | Cc1c(c(/C=C/c2ccc(cc2F)F)on1)S(N1CCC(CC1)C(N1CCCSc2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7893 |
| logD: | 4.7893 |
| logSw: | -4.5419 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 69.109 |
| InChI Key: | GHYZNCPQTBFMDG-UHFFFAOYSA-N |