dimethyl 3-methyl-5-{[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}thiophene-2,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 3-methyl-5-{[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}thiophene-2,4-dicarboxylate
dimethyl 3-methyl-5-{[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}thiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | K061-0975 |
| Compound Name: | dimethyl 3-methyl-5-{[5-(4-nitrophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}thiophene-2,4-dicarboxylate |
| Molecular Weight: | 563.47 |
| Molecular Formula: | C23 H16 F3 N5 O7 S |
| Smiles: | Cc1c(C(=O)OC)c(NC(c2cc3nc(cc(C(F)(F)F)n3n2)c2ccc(cc2)[N+]([O-])=O)=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7195 |
| logD: | 2.2509 |
| logSw: | -4.8059 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.012 |
| InChI Key: | WBGKACJHMCHWCM-UHFFFAOYSA-N |