ethyl 4-({5-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3,4-thiadiazol-2-yl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({5-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3,4-thiadiazol-2-yl}amino)benzoate
ethyl 4-({5-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3,4-thiadiazol-2-yl}amino)benzoate
Compound characteristics
| Compound ID: | 2203-2830 |
| Compound Name: | ethyl 4-({5-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3,4-thiadiazol-2-yl}amino)benzoate |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C24 H24 N4 O4 S |
| Smiles: | CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c1nnc(Nc2ccc(cc2)C(=O)OCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.735 |
| logD: | 5.7349 |
| logSw: | -5.4818 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.836 |
| InChI Key: | VJADHMJXMJJIFS-UHFFFAOYSA-N |