7-(diethylamino)-3-[5-(5-fluoro-2-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-(diethylamino)-3-[5-(5-fluoro-2-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
7-(diethylamino)-3-[5-(5-fluoro-2-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0886 |
| Compound Name: | 7-(diethylamino)-3-[5-(5-fluoro-2-methylanilino)-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(Nc2cc(ccc2C)F)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.3153 |
| logD: | 5.3153 |
| logSw: | -5.3674 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.384 |
| InChI Key: | KIJPPZHJVMUHOW-UHFFFAOYSA-N |