2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
Compound ID: | Y042-3709 |
Compound Name: | 2-(7,8-dimethoxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide |
Molecular Weight: | 403.46 |
Molecular Formula: | C19 H21 N3 O5 S |
Smiles: | CC(C)c1nnc(NC(CC2=C(C)c3ccc(c(c3OC2=O)OC)OC)=O)s1 |
Stereo: | ACHIRAL |
logP: | 3.2145 |
logD: | 3.163 |
logSw: | -3.5651 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 82.615 |
InChI Key: | MAFCEXMJKZYKAU-UHFFFAOYSA-N |