ethyl 1-{3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl}-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl}-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
ethyl 1-{3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl}-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-2781 |
| Compound Name: | ethyl 1-{3-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-3-oxopropyl}-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 479.57 |
| Molecular Formula: | C26 H26 F N3 O3 S |
| Smiles: | CCOC(c1cc(c2ccc(cc2)F)n(CCC(Nc2nc3cc(C)c(C)cc3s2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7378 |
| logD: | 6.7377 |
| logSw: | -5.6602 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.561 |
| InChI Key: | PZKYLURCEBMJHF-UHFFFAOYSA-N |