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 |