methyl 2-{[3-chloro-5-(thiophen-2-yl)-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-{[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
methyl 2-{[3-chloro-5-(thiophen-2-yl)-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: | 3209-0148 |
| Compound Name: | methyl 2-{[3-chloro-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 555 |
| Molecular Formula: | C23 H18 Cl F3 N4 O3 S2 |
| Smiles: | COC(c1c2CCCCCc2sc1NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1cccs1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4606 |
| logD: | 2.8753 |
| logSw: | -6.5168 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.044 |
| InChI Key: | WXOSRJVKJAAXCT-UHFFFAOYSA-N |