methyl 4-{[3-(4-bromo-3-methylanilino)-3-oxopropyl]sulfamoyl}-1-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{[3-(4-bromo-3-methylanilino)-3-oxopropyl]sulfamoyl}-1-methyl-1H-pyrrole-2-carboxylate
methyl 4-{[3-(4-bromo-3-methylanilino)-3-oxopropyl]sulfamoyl}-1-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F065-4808 |
| Compound Name: | methyl 4-{[3-(4-bromo-3-methylanilino)-3-oxopropyl]sulfamoyl}-1-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 458.33 |
| Molecular Formula: | C17 H20 Br N3 O5 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CCNS(c1cc(C(=O)OC)n(C)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3436 |
| logD: | 2.343 |
| logSw: | -2.8548 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.471 |
| InChI Key: | GXRLCAZEYZHRHB-UHFFFAOYSA-N |