ethyl 4-{[5-(7-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3,4-thiadiazol-2-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[5-(7-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3,4-thiadiazol-2-yl]amino}benzoate
ethyl 4-{[5-(7-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3,4-thiadiazol-2-yl]amino}benzoate
Compound characteristics
| Compound ID: | K231-1727 |
| Compound Name: | ethyl 4-{[5-(7-methoxy-2-oxo-2H-1-benzopyran-3-yl)-1,3,4-thiadiazol-2-yl]amino}benzoate |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C21 H17 N3 O5 S |
| Smiles: | CCOC(c1ccc(cc1)Nc1nnc(C2=Cc3ccc(cc3OC2=O)OC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8633 |
| logD: | 4.8633 |
| logSw: | -4.6477 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.643 |
| InChI Key: | GKBPJQCURSOVBZ-UHFFFAOYSA-N |