3-(5-anilino-1,3,4-thiadiazol-2-yl)-7-(diethylamino)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(5-anilino-1,3,4-thiadiazol-2-yl)-7-(diethylamino)-2H-1-benzopyran-2-one
3-(5-anilino-1,3,4-thiadiazol-2-yl)-7-(diethylamino)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1711-1422 |
| Compound Name: | 3-(5-anilino-1,3,4-thiadiazol-2-yl)-7-(diethylamino)-2H-1-benzopyran-2-one |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c1nnc(Nc2ccccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.9418 |
| logD: | 4.9418 |
| logSw: | -4.7139 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.082 |
| InChI Key: | QNETXKXUSKHMMF-UHFFFAOYSA-N |