(2Z)-2-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-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-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-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-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-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: | Y505-7194 |
| Compound Name: | (2Z)-2-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-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: | 407.45 |
| Molecular Formula: | C21 H17 N3 O4 S |
| Smiles: | CC12C(C(c3ccccc3O2)N2C(=N1)SC(=C/C=C/c1ccco1)\C2=O)C(N)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1532 |
| logD: | 2.1532 |
| logSw: | -2.6113 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.2 |
| InChI Key: | MRURHSMBDHHEDQ-UHFFFAOYSA-N |