6-chloro-3-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-3-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
6-chloro-3-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2203-2826 |
| Compound Name: | 6-chloro-3-[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 385.83 |
| Molecular Formula: | C18 H12 Cl N3 O3 S |
| Smiles: | COc1ccc(cc1)Nc1nnc(C2=Cc3cc(ccc3OC2=O)[Cl])s1 |
| Stereo: | ACHIRAL |
| logP: | 4.7522 |
| logD: | 4.7522 |
| logSw: | -4.9958 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.89 |
| InChI Key: | NICUMIFUONNLFT-UHFFFAOYSA-N |