N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide
Chemical Structure Depiction of
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide
Compound characteristics
| Compound ID: | Y042-4004 |
| Compound Name: | N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(7-methoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)acetamide |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C19 H21 N3 O4 S |
| Smiles: | CC1=C(CC(Nc2nnc(C(C)(C)C)s2)=O)C(=O)Oc2cc(ccc12)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7997 |
| logD: | 3.7505 |
| logSw: | -4.1603 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.127 |
| InChI Key: | YPGVBSJSEQUASU-UHFFFAOYSA-N |