7-(diethylamino)-3-(5-{[(4-fluorophenyl)methyl]amino}-1,3,4-thiadiazol-2-yl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-(diethylamino)-3-(5-{[(4-fluorophenyl)methyl]amino}-1,3,4-thiadiazol-2-yl)-2H-1-benzopyran-2-one
7-(diethylamino)-3-(5-{[(4-fluorophenyl)methyl]amino}-1,3,4-thiadiazol-2-yl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0888 |
| Compound Name: | 7-(diethylamino)-3-(5-{[(4-fluorophenyl)methyl]amino}-1,3,4-thiadiazol-2-yl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C22 H21 F N4 O2 S |
| Smiles: | CCN(CC)c1ccc2C=C(C(=O)Oc2c1)c1nnc(NCc2ccc(cc2)F)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5241 |
| logD: | 4.524 |
| logSw: | -4.3647 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.404 |
| InChI Key: | HYXWCHSATDBKMH-UHFFFAOYSA-N |