methyl 3-{[4-(dibutylsulfamoyl)phenyl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[4-(dibutylsulfamoyl)phenyl]carbamoyl}-5-nitrobenzoate
methyl 3-{[4-(dibutylsulfamoyl)phenyl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-3310 |
| Compound Name: | methyl 3-{[4-(dibutylsulfamoyl)phenyl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 491.56 |
| Molecular Formula: | C23 H29 N3 O7 S |
| Smiles: | CCCCN(CCCC)S(c1ccc(cc1)NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0762 |
| logD: | 4.6725 |
| logSw: | -4.804 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.489 |
| InChI Key: | KHVHHMGEFLQVOS-UHFFFAOYSA-N |