6-chloro-3-{5-[2-chloro-5-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-{5-[2-chloro-5-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
6-chloro-3-{5-[2-chloro-5-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0459 |
| Compound Name: | 6-chloro-3-{5-[2-chloro-5-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 458.24 |
| Molecular Formula: | C18 H8 Cl2 F3 N3 O2 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[Cl])c1nnc(Nc2cc(ccc2[Cl])C(F)(F)F)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.2542 |
| logD: | 6.2542 |
| logSw: | -6.4538 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.648 |
| InChI Key: | FVNFNXADTITRTL-UHFFFAOYSA-N |