(2Z)-2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxamide
Chemical Structure Depiction of
(2Z)-2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxamide
(2Z)-2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxamide
Compound characteristics
| Compound ID: | Y505-7180 |
| Compound Name: | (2Z)-2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-5-methyl-1-oxo-1,2-dihydro-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocine-13-carboxamide |
| Molecular Weight: | 409.47 |
| Molecular Formula: | C20 H19 N5 O3 S |
| Smiles: | Cc1c(/C=C2/C(N3C4C(C(N)=O)C(C)(N=C3S2)Oc2ccccc24)=O)cn(C)n1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.071 |
| logD: | 1.0704 |
| logSw: | -2.1108 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.614 |
| InChI Key: | VUHNTVCWGNPQSQ-UHFFFAOYSA-N |