methyl 3-({4-[benzyl(methyl)sulfamoyl]phenyl}carbamoyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-({4-[benzyl(methyl)sulfamoyl]phenyl}carbamoyl)-5-nitrobenzoate
methyl 3-({4-[benzyl(methyl)sulfamoyl]phenyl}carbamoyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-3701 |
| Compound Name: | methyl 3-({4-[benzyl(methyl)sulfamoyl]phenyl}carbamoyl)-5-nitrobenzoate |
| Molecular Weight: | 483.5 |
| Molecular Formula: | C23 H21 N3 O7 S |
| Smiles: | CN(Cc1ccccc1)S(c1ccc(cc1)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9942 |
| logD: | 3.5905 |
| logSw: | -4.2921 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.449 |
| InChI Key: | YUMJMSIRELURNB-UHFFFAOYSA-N |