rel-(2Z,5R,11R)-5-methyl-2-[(1-methyl-1H-pyrazol-5-yl)methylidene]-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)-5-methyl-2-[(1-methyl-1H-pyrazol-5-yl)methylidene]-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
rel-(2Z,5R,11R)-5-methyl-2-[(1-methyl-1H-pyrazol-5-yl)methylidene]-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Compound characteristics
| Compound ID: | Y505-7176 |
| Compound Name: | rel-(2Z,5R,11R)-5-methyl-2-[(1-methyl-1H-pyrazol-5-yl)methylidene]-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one |
| Molecular Weight: | 352.41 |
| Molecular Formula: | C18 H16 N4 O2 S |
| Smiles: | [H][C@]12C[C@@](C)(N=C3N2C(/C(=C/c2ccnn2C)S3)=O)Oc2ccccc12 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3145 |
| logD: | 2.3142 |
| logSw: | -2.7661 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.926 |
| InChI Key: | ZSFIWBDBJOVWJB-ACJLOTCBSA-N |