tert-butyl ({6-[3-(3-chloro-4-fluoroanilino)-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-(3-chloro-4-fluoroanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)carbamate
tert-butyl ({6-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)carbamate
Compound characteristics
| Compound ID: | C908-0375 |
| Compound Name: | tert-butyl ({6-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)carbamate |
| Molecular Weight: | 476.94 |
| Molecular Formula: | C22 H26 Cl F N6 O3 |
| Smiles: | Cc1c(CCC(Nc2ccc(c(c2)[Cl])F)=O)c(C)n2c(n1)nc(CNC(=O)OC(C)(C)C)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.7033 |
| logD: | 3.6822 |
| logSw: | -4.1975 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.12 |
| InChI Key: | CULUGMZJMLZPEE-UHFFFAOYSA-N |