ethyl 2-methyl-1-{3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl}-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2-methyl-1-{3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl}-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
ethyl 2-methyl-1-{3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl}-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | C721-0595 |
| Compound Name: | ethyl 2-methyl-1-{3-[(4-methyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl}-5-(4-methylphenyl)-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C26 H27 N3 O3 S |
| Smiles: | CCOC(c1cc(c2ccc(C)cc2)n(CCC(Nc2nc3c(C)cccc3s2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.515 |
| logD: | 6.5145 |
| logSw: | -5.5983 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.331 |
| InChI Key: | LRQCPKVMHSTEDU-UHFFFAOYSA-N |