3-(3,4-dimethoxybenzene-1-sulfonyl)-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(3,4-dimethoxybenzene-1-sulfonyl)-6-nitro-2H-1-benzopyran-2-one
3-(3,4-dimethoxybenzene-1-sulfonyl)-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0189 |
| Compound Name: | 3-(3,4-dimethoxybenzene-1-sulfonyl)-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 391.35 |
| Molecular Formula: | C17 H13 N O8 S |
| Smiles: | COc1ccc(cc1OC)S(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2136 |
| logD: | 2.2136 |
| logSw: | -2.845 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 99.303 |
| InChI Key: | WPCKZCAIQRTZRN-UHFFFAOYSA-N |