ethyl 1-{2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-{2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-1636 |
| Compound Name: | ethyl 1-{2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C23 H20 Cl N3 O3 S |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CC(Nc2nc3ccc(cc3s2)[Cl])=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.358 |
| logD: | 6.3571 |
| logSw: | -6.0452 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.582 |
| InChI Key: | NWMUONZLNQUOHZ-UHFFFAOYSA-N |