ethyl 2-methyl-1-{3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl}-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2-methyl-1-{3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl}-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 2-methyl-1-{3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl}-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-2297 |
| Compound Name: | ethyl 2-methyl-1-{3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl}-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C25 H25 N3 O3 S |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CCC(Nc2nc3c(C)cccc3s2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9865 |
| logD: | 5.9861 |
| logSw: | -5.4818 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.331 |
| InChI Key: | PLOGGYYYHABPQC-UHFFFAOYSA-N |