ethyl 4-{4-[(4-bromo-3-methylphenyl)carbamoyl]piperidine-1-sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(4-bromo-3-methylphenyl)carbamoyl]piperidine-1-sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
ethyl 4-{4-[(4-bromo-3-methylphenyl)carbamoyl]piperidine-1-sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G937-0525 |
| Compound Name: | ethyl 4-{4-[(4-bromo-3-methylphenyl)carbamoyl]piperidine-1-sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 540.48 |
| Molecular Formula: | C23 H30 Br N3 O5 S |
| Smiles: | CCOC(c1c(c(C)n(C)c1C)S(N1CCC(CC1)C(Nc1ccc(c(C)c1)[Br])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1236 |
| logD: | 3.1232 |
| logSw: | -3.3094 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.573 |
| InChI Key: | IWSXFZLVDFMCCC-UHFFFAOYSA-N |