3-chloro-5-(3,4-dimethoxyphenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
3-chloro-5-(3,4-dimethoxyphenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
3-chloro-5-(3,4-dimethoxyphenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
Compound ID: | 3209-1278 |
Compound Name: | 3-chloro-5-(3,4-dimethoxyphenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide |
Molecular Weight: | 555.9 |
Molecular Formula: | C23 H21 Cl F3 N5 O6 |
Smiles: | COc1cc(cc(c1)[N+]([O-])=O)NC(c1c(c2NC(CC(C(F)(F)F)n2n1)c1ccc(c(c1)OC)OC)[Cl])=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 4.8858 |
logD: | 4.8046 |
logSw: | -5.2939 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 105.338 |
InChI Key: | NYRDZZLRQAZWFC-UHFFFAOYSA-N |