3-(4-tert-butylbenzene-1-sulfonyl)-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-tert-butylbenzene-1-sulfonyl)-6-nitro-2H-1-benzopyran-2-one
3-(4-tert-butylbenzene-1-sulfonyl)-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C566-0087 |
| Compound Name: | 3-(4-tert-butylbenzene-1-sulfonyl)-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 387.41 |
| Molecular Formula: | C19 H17 N O6 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5376 |
| logD: | 4.5376 |
| logSw: | -4.5232 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.042 |
| InChI Key: | JWHQBSRQYKZIDF-UHFFFAOYSA-N |