7-(diethylamino)-3-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-(diethylamino)-3-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
7-(diethylamino)-3-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1814-2009 |
| Compound Name: | 7-(diethylamino)-3-[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 406.51 |
| Molecular Formula: | C22 H22 N4 O2 S |
| Smiles: | CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c1nnc(Nc2ccc(C)cc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.557 |
| logD: | 5.5569 |
| logSw: | -5.3847 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.082 |
| InChI Key: | DCPDJULROTTZDI-UHFFFAOYSA-N |