ethyl 4-{[benzyl(4-propylbenzene-1-sulfonyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{[benzyl(4-propylbenzene-1-sulfonyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{[benzyl(4-propylbenzene-1-sulfonyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0208 |
| Compound Name: | ethyl 4-{[benzyl(4-propylbenzene-1-sulfonyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 468.61 |
| Molecular Formula: | C26 H32 N2 O4 S |
| Smiles: | CCCc1ccc(cc1)S(N(Cc1ccccc1)Cc1c(C)c(C(=O)OCC)[nH]c1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0742 |
| logD: | 6.0742 |
| logSw: | -5.5051 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.077 |
| InChI Key: | ZLVITDGTFHPKIK-UHFFFAOYSA-N |