ethyl 4-{[(4-bromobenzene-1-sulfonyl)(cyclohexyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(4-bromobenzene-1-sulfonyl)(cyclohexyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{[(4-bromobenzene-1-sulfonyl)(cyclohexyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0198 |
| Compound Name: | ethyl 4-{[(4-bromobenzene-1-sulfonyl)(cyclohexyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 497.45 |
| Molecular Formula: | C22 H29 Br N2 O4 S |
| Smiles: | CCOC(c1c(C)c(CN(C2CCCCC2)S(c2ccc(cc2)[Br])(=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7409 |
| logD: | 5.7409 |
| logSw: | -5.2499 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.361 |
| InChI Key: | VVPNGWIKHRDRID-UHFFFAOYSA-N |