methyl (3-{[(4-methylphenyl)methyl]sulfamoyl}-5-nitro-1H-indol-1-yl)acetate
Chemical Structure Depiction of
methyl (3-{[(4-methylphenyl)methyl]sulfamoyl}-5-nitro-1H-indol-1-yl)acetate
methyl (3-{[(4-methylphenyl)methyl]sulfamoyl}-5-nitro-1H-indol-1-yl)acetate
Compound characteristics
| Compound ID: | E734-2054 |
| Compound Name: | methyl (3-{[(4-methylphenyl)methyl]sulfamoyl}-5-nitro-1H-indol-1-yl)acetate |
| Molecular Weight: | 417.44 |
| Molecular Formula: | C19 H19 N3 O6 S |
| Smiles: | Cc1ccc(CNS(c2cn(CC(=O)OC)c3ccc(cc23)[N+]([O-])=O)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8102 |
| logD: | 2.8094 |
| logSw: | -3.3411 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.961 |
| InChI Key: | BIFMHRJGKBAGIH-UHFFFAOYSA-N |