tert-butyl [(5,7-dimethyl-6-{3-oxo-3-[3-(trifluoromethyl)anilino]propyl}[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
Chemical Structure Depiction of
tert-butyl [(5,7-dimethyl-6-{3-oxo-3-[3-(trifluoromethyl)anilino]propyl}[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
tert-butyl [(5,7-dimethyl-6-{3-oxo-3-[3-(trifluoromethyl)anilino]propyl}[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
Compound characteristics
| Compound ID: | C908-0363 |
| Compound Name: | tert-butyl [(5,7-dimethyl-6-{3-oxo-3-[3-(trifluoromethyl)anilino]propyl}[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate |
| Molecular Weight: | 492.5 |
| Molecular Formula: | C23 H27 F3 N6 O3 |
| Smiles: | Cc1c(CCC(Nc2cccc(c2)C(F)(F)F)=O)c(C)n2c(n1)nc(CNC(=O)OC(C)(C)C)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.0164 |
| logD: | 4.015 |
| logSw: | -4.255 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.12 |
| InChI Key: | SGBSFGJYEIDVNE-UHFFFAOYSA-N |