tert-butyl ({6-[3-(5-chloro-2-methoxyanilino)-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-(5-chloro-2-methoxyanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)carbamate
tert-butyl ({6-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)carbamate
Compound characteristics
| Compound ID: | C908-0450 |
| Compound Name: | tert-butyl ({6-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)carbamate |
| Molecular Weight: | 488.97 |
| Molecular Formula: | C23 H29 Cl N6 O4 |
| Smiles: | Cc1c(CCC(Nc2cc(ccc2OC)[Cl])=O)c(C)n2c(n1)nc(CNC(=O)OC(C)(C)C)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.226 |
| logD: | 3.2163 |
| logSw: | -3.7914 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.052 |
| InChI Key: | ZPWZOEDZPFVZMF-UHFFFAOYSA-N |