7-methoxy-3-[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-methoxy-3-[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
7-methoxy-3-[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0240 |
| Compound Name: | 7-methoxy-3-[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 365.41 |
| Molecular Formula: | C19 H15 N3 O3 S |
| Smiles: | Cc1ccccc1Nc1nnc(C2=Cc3ccc(cc3OC2=O)OC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3162 |
| logD: | 4.3162 |
| logSw: | -4.47 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.192 |
| InChI Key: | UDZXLAMQEZONQG-UHFFFAOYSA-N |