ethyl 4-{4-[(3-bromophenyl)carbamoyl]piperidine-1-sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(3-bromophenyl)carbamoyl]piperidine-1-sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
ethyl 4-{4-[(3-bromophenyl)carbamoyl]piperidine-1-sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G937-0233 |
| Compound Name: | ethyl 4-{4-[(3-bromophenyl)carbamoyl]piperidine-1-sulfonyl}-2,5-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 512.42 |
| Molecular Formula: | C21 H26 Br N3 O5 S |
| Smiles: | CCOC(c1c(c(C)[nH]c1C)S(N1CCC(CC1)C(Nc1cccc(c1)[Br])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0892 |
| logD: | 3.0885 |
| logSw: | -3.2942 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.582 |
| InChI Key: | OZZHFJVFUTWGOA-UHFFFAOYSA-N |