tert-butyl {[5,7-dimethyl-6-(3-oxo-3-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]amino}propyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate
Chemical Structure Depiction of
tert-butyl {[5,7-dimethyl-6-(3-oxo-3-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]amino}propyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate
tert-butyl {[5,7-dimethyl-6-(3-oxo-3-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]amino}propyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate
Compound characteristics
| Compound ID: | C908-0380 |
| Compound Name: | tert-butyl {[5,7-dimethyl-6-(3-oxo-3-{[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]amino}propyl)[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl}carbamate |
| Molecular Weight: | 542.6 |
| Molecular Formula: | C28 H30 N8 O4 |
| Smiles: | Cc1c(CCC(Nc2ccc3c(c2)nc(c2ccncc2)o3)=O)c(C)n2c(n1)nc(CNC(=O)OC(C)(C)C)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.2498 |
| logD: | 3.2492 |
| logSw: | -3.3334 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.358 |
| InChI Key: | LJUGZQQXMYUPTH-UHFFFAOYSA-N |