(2Z)-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-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
(2Z)-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
(2Z)-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-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: | Y502-4676 |
| Compound Name: | (2Z)-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-5-methyl-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C25 H22 N4 O2 S |
| Smiles: | Cc1c(/C=C2/C(N3C4CC(C)(N=C3S2)Oc2ccccc24)=O)c(C)n(c2ccccc2)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2457 |
| logD: | 4.2451 |
| logSw: | -4.472 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.213 |
| InChI Key: | ZJHMWQDOOHFRHJ-UHFFFAOYSA-N |