methyl 4-[({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
methyl 4-[({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G070-1367 |
| Compound Name: | methyl 4-[({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)sulfamoyl]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 419.54 |
| Molecular Formula: | C21 H29 N3 O4 S |
| Smiles: | Cc1ccc(C)c(CN2CCC(CC2)CNS(c2cc(C(=O)OC)[nH]c2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8897 |
| logD: | 2.037 |
| logSw: | -3.8364 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.059 |
| InChI Key: | ISAGSEBUXLKOQY-UHFFFAOYSA-N |