methyl 3-nitro-5-{[4-(pyrrolidine-1-sulfonyl)phenyl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 3-nitro-5-{[4-(pyrrolidine-1-sulfonyl)phenyl]carbamoyl}benzoate
methyl 3-nitro-5-{[4-(pyrrolidine-1-sulfonyl)phenyl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | Y032-2471 |
| Compound Name: | methyl 3-nitro-5-{[4-(pyrrolidine-1-sulfonyl)phenyl]carbamoyl}benzoate |
| Molecular Weight: | 433.44 |
| Molecular Formula: | C19 H19 N3 O7 S |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(Nc1ccc(cc1)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9039 |
| logD: | 2.5002 |
| logSw: | -3.699 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.962 |
| InChI Key: | QNACUYCWWJATSS-UHFFFAOYSA-N |