tert-butyl [(6-{3-[4-(cyanomethyl)anilino]-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-(cyanomethyl)anilino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
tert-butyl [(6-{3-[4-(cyanomethyl)anilino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate
Compound characteristics
| Compound ID: | C908-0452 |
| Compound Name: | tert-butyl [(6-{3-[4-(cyanomethyl)anilino]-3-oxopropyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]carbamate |
| Molecular Weight: | 463.54 |
| Molecular Formula: | C24 H29 N7 O3 |
| Smiles: | Cc1c(CCC(Nc2ccc(CC#N)cc2)=O)c(C)n2c(n1)nc(CNC(=O)OC(C)(C)C)n2 |
| Stereo: | ACHIRAL |
| logP: | 2.4057 |
| logD: | 2.4055 |
| logSw: | -2.8792 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.612 |
| InChI Key: | ZSCJGLFDLKZBIZ-UHFFFAOYSA-N |