methyl 3-({5-(4-methyl-1,3-thiazol-2-yl)-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-sulfonyl}amino)benzoate
Chemical Structure Depiction of
methyl 3-({5-(4-methyl-1,3-thiazol-2-yl)-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-sulfonyl}amino)benzoate
methyl 3-({5-(4-methyl-1,3-thiazol-2-yl)-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-sulfonyl}amino)benzoate
Compound characteristics
| Compound ID: | M347-0145 |
| Compound Name: | methyl 3-({5-(4-methyl-1,3-thiazol-2-yl)-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrrole-3-sulfonyl}amino)benzoate |
| Molecular Weight: | 488.58 |
| Molecular Formula: | C22 H24 N4 O5 S2 |
| Smiles: | Cc1csc(c2cc(cn2CC(N2CCCC2)=O)S(Nc2cccc(c2)C(=O)OC)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1442 |
| logD: | 3.1408 |
| logSw: | -3.429 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.843 |
| InChI Key: | HJANINJBYIFGTQ-UHFFFAOYSA-N |