methyl 3-({4-[(3-ethoxypropyl)sulfamoyl]phenyl}carbamoyl)-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-({4-[(3-ethoxypropyl)sulfamoyl]phenyl}carbamoyl)-5-nitrobenzoate
methyl 3-({4-[(3-ethoxypropyl)sulfamoyl]phenyl}carbamoyl)-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-3772 |
| Compound Name: | methyl 3-({4-[(3-ethoxypropyl)sulfamoyl]phenyl}carbamoyl)-5-nitrobenzoate |
| Molecular Weight: | 465.48 |
| Molecular Formula: | C20 H23 N3 O8 S |
| Smiles: | CCOCCCNS(c1ccc(cc1)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9852 |
| logD: | 2.5815 |
| logSw: | -3.6571 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 127.734 |
| InChI Key: | FJNWWMXSMMKCDY-UHFFFAOYSA-N |