ethyl 4-{[benzyl(4-propanamidobenzene-1-sulfonyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{[benzyl(4-propanamidobenzene-1-sulfonyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{[benzyl(4-propanamidobenzene-1-sulfonyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G800-0257 |
| Compound Name: | ethyl 4-{[benzyl(4-propanamidobenzene-1-sulfonyl)amino]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 497.61 |
| Molecular Formula: | C26 H31 N3 O5 S |
| Smiles: | CCC(Nc1ccc(cc1)S(N(Cc1ccccc1)Cc1c(C)c(C(=O)OCC)[nH]c1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3779 |
| logD: | 4.3774 |
| logSw: | -4.2011 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.227 |
| InChI Key: | HOWYUVVWINOCPT-UHFFFAOYSA-N |