ethyl 2,4-dimethyl-1-{2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 2,4-dimethyl-1-{2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 2,4-dimethyl-1-{2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | C721-0003 |
| Compound Name: | ethyl 2,4-dimethyl-1-{2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C25 H25 N3 O3 S |
| Smiles: | CCOC(c1c(C)c(c2ccccc2)n(CC(Nc2nc3c(C)cccc3s2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7077 |
| logD: | 5.7075 |
| logSw: | -5.5598 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.129 |
| InChI Key: | IQCGWBPURQHFPQ-UHFFFAOYSA-N |