methyl 4-({1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-1H-pyrrole-3-sulfonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-1H-pyrrole-3-sulfonyl}amino)benzoate
methyl 4-({1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-1H-pyrrole-3-sulfonyl}amino)benzoate
Compound characteristics
| Compound ID: | M330-0205 |
| Compound Name: | methyl 4-({1-methyl-5-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-1H-pyrrole-3-sulfonyl}amino)benzoate |
| Molecular Weight: | 488.58 |
| Molecular Formula: | C22 H24 N4 O5 S2 |
| Smiles: | Cc1c(C(N2CCCC2)=O)sc(c2cc(cn2C)S(Nc2ccc(cc2)C(=O)OC)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4206 |
| logD: | 3.3783 |
| logSw: | -3.814 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.697 |
| InChI Key: | NKVMGFNETYAWDI-UHFFFAOYSA-N |