methyl 3-nitro-5-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}benzoate
methyl 3-nitro-5-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | 4100-3637 |
| Compound Name: | methyl 3-nitro-5-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}benzoate |
| Molecular Weight: | 407.4 |
| Molecular Formula: | C17 H17 N3 O7 S |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0972 |
| logD: | 1.0964 |
| logSw: | -2.3835 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 129.652 |
| InChI Key: | YOJOHKAENFBBFH-UHFFFAOYSA-N |