6-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
6-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1242 |
| Compound Name: | 6-chloro-N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 434.87 |
| Molecular Formula: | C18 H11 Cl N2 O5 S2 |
| Smiles: | [H]N(C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O)c1nc2ccc(cc2s1)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4139 |
| logD: | 3.4027 |
| logSw: | -4.0353 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.658 |
| InChI Key: | WIGPPCPXASCOIR-UHFFFAOYSA-N |