methyl 3-{[4-(diethylsulfamoyl)phenyl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[4-(diethylsulfamoyl)phenyl]carbamoyl}-5-nitrobenzoate
methyl 3-{[4-(diethylsulfamoyl)phenyl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-3384 |
| Compound Name: | methyl 3-{[4-(diethylsulfamoyl)phenyl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 435.45 |
| Molecular Formula: | C19 H21 N3 O7 S |
| Smiles: | CCN(CC)S(c1ccc(cc1)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0614 |
| logD: | 2.6577 |
| logSw: | -3.66 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.981 |
| InChI Key: | BMTQAANEPWJYGW-UHFFFAOYSA-N |