methyl 3-nitro-5-({4-[(2-phenylethyl)sulfamoyl]phenyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-({4-[(2-phenylethyl)sulfamoyl]phenyl}carbamoyl)benzoate
methyl 3-nitro-5-({4-[(2-phenylethyl)sulfamoyl]phenyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | Y032-3309 |
| Compound Name: | methyl 3-nitro-5-({4-[(2-phenylethyl)sulfamoyl]phenyl}carbamoyl)benzoate |
| Molecular Weight: | 483.5 |
| Molecular Formula: | C23 H21 N3 O7 S |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1ccc(cc1)S(NCCc1ccccc1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0074 |
| logD: | 3.6037 |
| logSw: | -4.272 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 119.485 |
| InChI Key: | VNYVFJYLCSGVGU-UHFFFAOYSA-N |