rel-(2Z,5R,11R)-2-({5-[(2,4-difluorophenyl)methoxy]furan-2-yl}methylidene)-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Chemical Structure Depiction of
rel-(2Z,5R,11R)-2-({5-[(2,4-difluorophenyl)methoxy]furan-2-yl}methylidene)-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
rel-(2Z,5R,11R)-2-({5-[(2,4-difluorophenyl)methoxy]furan-2-yl}methylidene)-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Compound characteristics
| Compound ID: | Y505-7186 |
| Compound Name: | rel-(2Z,5R,11R)-2-({5-[(2,4-difluorophenyl)methoxy]furan-2-yl}methylidene)-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one |
| Molecular Weight: | 480.49 |
| Molecular Formula: | C25 H18 F2 N2 O4 S |
| Smiles: | [H][C@]12C[C@@](C)(N=C3N2C(/C(=C/c2ccc(OCc4ccc(cc4F)F)o2)S3)=O)Oc2ccccc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 5.3624 |
| logD: | 5.3622 |
| logSw: | -5.4008 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.812 |
| InChI Key: | JENIROLGYHMQMN-CLOONOSVSA-N |