N-(4-acetylphenyl)-2-methyl-5-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonamide
Chemical Structure Depiction of
N-(4-acetylphenyl)-2-methyl-5-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonamide
N-(4-acetylphenyl)-2-methyl-5-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonamide
Compound characteristics
| Compound ID: | G851-0084 |
| Compound Name: | N-(4-acetylphenyl)-2-methyl-5-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonamide |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C21 H19 N3 O6 S |
| Smiles: | CC(c1ccc(cc1)NS(c1cc(/C=C/c2c(c(C)no2)[N+]([O-])=O)ccc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9798 |
| logD: | 2.5755 |
| logSw: | -4.2978 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.01 |
| InChI Key: | TWMCUMQVBSSVON-UHFFFAOYSA-N |