N-(3,5-dimethoxyphenyl)-5-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]thiophene-2-sulfonamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-5-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]thiophene-2-sulfonamide
N-(3,5-dimethoxyphenyl)-5-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]thiophene-2-sulfonamide
Compound characteristics
| Compound ID: | G851-0112 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-5-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]thiophene-2-sulfonamide |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C18 H17 N3 O7 S2 |
| Smiles: | Cc1c(c(/C=C/c2ccc(s2)S(Nc2cc(cc(c2)OC)OC)(=O)=O)on1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8698 |
| logD: | 3.6786 |
| logSw: | -4.3014 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.289 |
| InChI Key: | NULLNOXNYPVXFQ-UHFFFAOYSA-N |