8-methoxy-3-[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-methoxy-3-[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
8-methoxy-3-[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0161 |
| Compound Name: | 8-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=Cc3cccc(c3OC2=O)OC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1611 |
| logD: | 4.1611 |
| logSw: | -4.5035 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.963 |
| InChI Key: | MHGXCUJGSOWBEC-UHFFFAOYSA-N |