methyl 2-{[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-{[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3209-0157 |
| Compound Name: | methyl 2-{[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 544.55 |
| Molecular Formula: | C26 H23 F3 N4 O4 S |
| Smiles: | COC(c1c2CCCCCc2sc1NC(c1cc2nc(cc(C(F)(F)F)n2n1)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2238 |
| logD: | 3.5771 |
| logSw: | -5.4624 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.252 |
| InChI Key: | RQLXQIRLIMDRGJ-UHFFFAOYSA-N |