tert-butyl ({6-[3-(4-bromo-3-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-bromo-3-methylanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)carbamate
tert-butyl ({6-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)carbamate
Compound characteristics
| Compound ID: | C908-0376 |
| Compound Name: | tert-butyl ({6-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)carbamate |
| Molecular Weight: | 517.42 |
| Molecular Formula: | C23 H29 Br N6 O3 |
| Smiles: | Cc1cc(ccc1[Br])NC(CCc1c(C)nc2nc(CNC(=O)OC(C)(C)C)nn2c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1477 |
| logD: | 4.1473 |
| logSw: | -4.3399 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.12 |
| InChI Key: | ZRSRHBOBRBGRJN-UHFFFAOYSA-N |