6-chloro-3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
6-chloro-3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0436 |
| Compound Name: | 6-chloro-3-[5-(3,4-dimethoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 415.85 |
| Molecular Formula: | C19 H14 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1OC)Nc1nnc(C2=Cc3cc(ccc3OC2=O)[Cl])s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3048 |
| logD: | 4.3048 |
| logSw: | -4.6743 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.607 |
| InChI Key: | QLMCFPUBZATSIW-UHFFFAOYSA-N |