tert-butyl ({6-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)carbamate
Chemical Structure Depiction of
tert-butyl ({6-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)carbamate
tert-butyl ({6-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)carbamate
Compound characteristics
| Compound ID: | C908-0445 |
| Compound Name: | tert-butyl ({6-[3-(4-fluoro-2-methylanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)carbamate |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C23 H29 F N6 O3 |
| Smiles: | Cc1cc(ccc1NC(CCc1c(C)nc2nc(CNC(=O)OC(C)(C)C)nn2c1C)=O)F |
| Stereo: | ACHIRAL |
| logP: | 2.9921 |
| logD: | 2.9914 |
| logSw: | -3.2872 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.422 |
| InChI Key: | XHVAEMBTMPFNFG-UHFFFAOYSA-N |