methyl 4-{[3-(2-bromo-4-methylanilino)-3-oxopropyl]sulfamoyl}-1-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-{[3-(2-bromo-4-methylanilino)-3-oxopropyl]sulfamoyl}-1-methyl-1H-pyrrole-2-carboxylate
methyl 4-{[3-(2-bromo-4-methylanilino)-3-oxopropyl]sulfamoyl}-1-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F065-4780 |
| Compound Name: | methyl 4-{[3-(2-bromo-4-methylanilino)-3-oxopropyl]sulfamoyl}-1-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 458.33 |
| Molecular Formula: | C17 H20 Br N3 O5 S |
| Smiles: | Cc1ccc(c(c1)[Br])NC(CCNS(c1cc(C(=O)OC)n(C)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9504 |
| logD: | 1.9502 |
| logSw: | -2.7702 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.773 |
| InChI Key: | HGHAVPQWYGLXML-UHFFFAOYSA-N |