3-chloro-N-{3-nitro-5-[(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)oxy]phenyl}-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-{3-nitro-5-[(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)oxy]phenyl}-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
3-chloro-N-{3-nitro-5-[(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)oxy]phenyl}-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0350 |
| Compound Name: | 3-chloro-N-{3-nitro-5-[(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)oxy]phenyl}-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 648 |
| Molecular Formula: | C32 H21 Cl F3 N5 O5 |
| Smiles: | C1CCc2c(C1)c1cc(ccc1o2)Oc1cc(cc(c1)[N+]([O-])=O)NC(c1c(c2nc(cc(C(F)(F)F)n2n1)c1ccccc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 8.6089 |
| logD: | 8.5873 |
| logSw: | -6.9105 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.05 |
| InChI Key: | YGPWNMHNELYNAA-UHFFFAOYSA-N |