N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D103-1803 |
| Compound Name: | N-[6-(methanesulfonyl)-1,3-benzothiazol-2-yl]-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 428.48 |
| Molecular Formula: | C20 H16 N2 O5 S2 |
| Smiles: | [H]N(C(C1=CC(c2ccc(C)c(C)c2O1)=O)=O)c1nc2ccc(cc2s1)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7183 |
| logD: | 3.7161 |
| logSw: | -4.0011 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.343 |
| InChI Key: | MRLPVFYEXCHIJD-UHFFFAOYSA-N |