ethyl 1-{3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-{3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-1952 |
| Compound Name: | ethyl 1-{3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C26 H27 N3 O4 S |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CCC(Nc2nc3ccc(cc3s2)OCC)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0862 |
| logD: | 6.0861 |
| logSw: | -5.5073 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.684 |
| InChI Key: | LAEBWYISQCHMQI-UHFFFAOYSA-N |