ethyl 4-[4-(2-oxo-2H-1-benzopyran-3-yl)-2-sulfanylidene-2,3-dihydro-1H-imidazol-1-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[4-(2-oxo-2H-1-benzopyran-3-yl)-2-sulfanylidene-2,3-dihydro-1H-imidazol-1-yl]benzoate
ethyl 4-[4-(2-oxo-2H-1-benzopyran-3-yl)-2-sulfanylidene-2,3-dihydro-1H-imidazol-1-yl]benzoate
Compound characteristics
| Compound ID: | K241-0362 |
| Compound Name: | ethyl 4-[4-(2-oxo-2H-1-benzopyran-3-yl)-2-sulfanylidene-2,3-dihydro-1H-imidazol-1-yl]benzoate |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C21 H16 N2 O4 S |
| Smiles: | CCOC(c1ccc(cc1)N1C=C(C2=Cc3ccccc3OC2=O)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8033 |
| logD: | 3.7573 |
| logSw: | -4.1964 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.074 |
| InChI Key: | XETDOGDIIIASFU-UHFFFAOYSA-N |