3-chloro-N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
3-chloro-N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | 8010-1308 |
| Compound Name: | 3-chloro-N-{3-[(2,3-dihydro-1H-inden-5-yl)oxy]-5-nitrophenyl}-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide |
| Molecular Weight: | 654 |
| Molecular Formula: | C31 H23 Cl F3 N5 O6 |
| Smiles: | COc1ccc(cc1OC)c1cc(C(F)(F)F)n2c(c(c(C(Nc3cc(cc(c3)Oc3ccc4CCCc4c3)[N+]([O-])=O)=O)n2)[Cl])n1 |
| Stereo: | ACHIRAL |
| logP: | 7.7257 |
| logD: | 7.7041 |
| logSw: | -6.6777 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.482 |
| InChI Key: | YVCQTSQITOSXFA-UHFFFAOYSA-N |