3-chloro-N-(3-nitro-5-phenoxyphenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-(3-nitro-5-phenoxyphenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
3-chloro-N-(3-nitro-5-phenoxyphenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 3209-0437 |
| Compound Name: | 3-chloro-N-(3-nitro-5-phenoxyphenyl)-5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 557.92 |
| Molecular Formula: | C26 H19 Cl F3 N5 O4 |
| Smiles: | C1C(c2ccccc2)Nc2c(c(C(Nc3cc(cc(c3)Oc3ccccc3)[N+]([O-])=O)=O)nn2C1C(F)(F)F)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9174 |
| logD: | 6.9091 |
| logSw: | -6.6203 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.281 |
| InChI Key: | DBKXALWMUYNSQD-UHFFFAOYSA-N |