ethyl 4-{[benzyl(5-fluoro-2-methylbenzene-1-sulfonyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{[benzyl(5-fluoro-2-methylbenzene-1-sulfonyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{[benzyl(5-fluoro-2-methylbenzene-1-sulfonyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0267 |
| Compound Name: | ethyl 4-{[benzyl(5-fluoro-2-methylbenzene-1-sulfonyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 458.55 |
| Molecular Formula: | C24 H27 F N2 O4 S |
| Smiles: | CCOC(c1c(C)c(CN(Cc2ccccc2)S(c2cc(ccc2C)F)(=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0658 |
| logD: | 5.0658 |
| logSw: | -4.7237 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.077 |
| InChI Key: | NUVGVGRCTNHOQC-UHFFFAOYSA-N |