7-methoxy-3-[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-methoxy-3-[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
7-methoxy-3-[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-1236 |
| Compound Name: | 7-methoxy-3-[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 381.41 |
| Molecular Formula: | C19 H15 N3 O4 S |
| Smiles: | COc1cccc(c1)Nc1nnc(C2=Cc3ccc(cc3OC2=O)OC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3284 |
| logD: | 4.3284 |
| logSw: | -4.5198 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.434 |
| InChI Key: | YYNGLAQQPUHYDP-UHFFFAOYSA-N |