N-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
N-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | K061-0446 |
| Compound Name: | N-[3-(4-chloro-2-cyclohexylphenoxy)-5-nitrophenyl]-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 642.06 |
| Molecular Formula: | C30 H23 Cl F3 N5 O4 S |
| Smiles: | C1CCC(CC1)c1cc(ccc1Oc1cc(cc(c1)[N+]([O-])=O)NC(c1cnn2c(cc(c3cccs3)nc12)C(F)(F)F)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 8.7699 |
| logD: | 8.7584 |
| logSw: | -6.7354 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.414 |
| InChI Key: | AOTNATRZOSZFBE-UHFFFAOYSA-N |