N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamide
Chemical Structure Depiction of
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamide
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamide
Compound characteristics
| Compound ID: | Y042-3712 |
| Compound Name: | N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetamide |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C22 H19 N3 O4 S |
| Smiles: | CC1=C(C)c2ccc(cc2OC1=O)OCC(Nc1nnc(Cc2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0589 |
| logD: | 4.0437 |
| logSw: | -4.3386 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.306 |
| InChI Key: | IIHVYFLNTKVTRU-UHFFFAOYSA-N |