tert-butyl ({6-[3-(3-acetamidoanilino)-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-acetamidoanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)carbamate
tert-butyl ({6-[3-(3-acetamidoanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)carbamate
Compound characteristics
| Compound ID: | C908-0456 |
| Compound Name: | tert-butyl ({6-[3-(3-acetamidoanilino)-3-oxopropyl]-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methyl)carbamate |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C24 H31 N7 O4 |
| Smiles: | CC(Nc1cccc(c1)NC(CCc1c(C)nc2nc(CNC(=O)OC(C)(C)C)nn2c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1778 |
| logD: | 2.1776 |
| logSw: | -2.8295 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.382 |
| InChI Key: | FHEFNCXIIHEEQG-UHFFFAOYSA-N |