3-{5-[2-chloro-5-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{5-[2-chloro-5-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-1-benzopyran-2-one
3-{5-[2-chloro-5-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0222 |
| Compound Name: | 3-{5-[2-chloro-5-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-8-methoxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 453.83 |
| Molecular Formula: | C19 H11 Cl F3 N3 O3 S |
| Smiles: | COc1cccc2C=C(C(=O)Oc12)c1nnc(Nc2cc(ccc2[Cl])C(F)(F)F)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.5912 |
| logD: | 5.5912 |
| logSw: | -6.1377 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.963 |
| InChI Key: | YBTSQRIRAJIERQ-UHFFFAOYSA-N |