N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
Compound ID: | D103-1128 |
Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide |
Molecular Weight: | 414.46 |
Molecular Formula: | C19 H14 N2 O5 S2 |
Smiles: | [H]N(C(C1=CC(c2ccc(C)cc2O1)=O)=O)c1nc2ccc(cc2s1)S(C)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.2752 |
logD: | 3.264 |
logSw: | -3.7774 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.658 |
InChI Key: | ZGXHHOOZWUGDIV-UHFFFAOYSA-N |