ethyl 2-(4-{[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzamido)-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-{[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzamido)-1,3-benzothiazole-6-carboxylate
ethyl 2-(4-{[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzamido)-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | K061-0058 |
| Compound Name: | ethyl 2-(4-{[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}benzamido)-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 636.63 |
| Molecular Formula: | C29 H19 F3 N6 O4 S2 |
| Smiles: | CCOC(c1ccc2c(c1)sc(NC(c1ccc(cc1)NC(c1cc3nc(cc(C(F)(F)F)n3n1)c1cccs1)=O)=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9498 |
| logD: | 6.9463 |
| logSw: | -5.6683 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.113 |
| InChI Key: | FPRFDTDQPHPWIB-UHFFFAOYSA-N |