methyl 2-{[5-(furan-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-{[5-(furan-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-{[5-(furan-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: | Y500-5310 |
| Compound Name: | methyl 2-{[5-(furan-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: | 504.49 |
| Molecular Formula: | C23 H19 F3 N4 O4 S |
| Smiles: | COC(c1c2CCCCCc2sc1NC(c1cc2nc(cc(C(F)(F)F)n2n1)c1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1477 |
| logD: | 2.501 |
| logSw: | -5.0662 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.287 |
| InChI Key: | DZRULOROKSFOKY-UHFFFAOYSA-N |