methyl 4-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]amino}benzoate
methyl 4-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | G242-0221 |
| Compound Name: | methyl 4-{[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]amino}benzoate |
| Molecular Weight: | 405.47 |
| Molecular Formula: | C19 H23 N3 O5 S |
| Smiles: | Cc1c(C(N2CCCC2)=O)c(c(C)[nH]1)S(Nc1ccc(cc1)C(=O)OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5143 |
| logD: | 2.0054 |
| logSw: | -2.8026 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.864 |
| InChI Key: | HGDJERBXAWLNCG-UHFFFAOYSA-N |