ethyl 4-({4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonyl}amino)benzoate
ethyl 4-({4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonyl}amino)benzoate
Compound characteristics
| Compound ID: | G851-0040 |
| Compound Name: | ethyl 4-({4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]benzene-1-sulfonyl}amino)benzoate |
| Molecular Weight: | 457.46 |
| Molecular Formula: | C21 H19 N3 O7 S |
| Smiles: | CCOC(c1ccc(cc1)NS(c1ccc(/C=C/c2c(c(C)no2)[N+]([O-])=O)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5315 |
| logD: | 4.0682 |
| logSw: | -4.2645 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.937 |
| InChI Key: | HFMUTDHZEMNCPC-UHFFFAOYSA-N |