ethyl 4-[3-(2-{[(tert-butoxycarbonyl)amino]methyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]benzoate
Chemical Structure Depiction of
ethyl 4-[3-(2-{[(tert-butoxycarbonyl)amino]methyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]benzoate
ethyl 4-[3-(2-{[(tert-butoxycarbonyl)amino]methyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]benzoate
Compound characteristics
| Compound ID: | C908-0377 |
| Compound Name: | ethyl 4-[3-(2-{[(tert-butoxycarbonyl)amino]methyl}-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamido]benzoate |
| Molecular Weight: | 496.57 |
| Molecular Formula: | C25 H32 N6 O5 |
| Smiles: | CCOC(c1ccc(cc1)NC(CCc1c(C)nc2nc(CNC(=O)OC(C)(C)C)nn2c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5746 |
| logD: | 3.5741 |
| logSw: | -3.7132 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.873 |
| InChI Key: | UXLRLCUJZSWQOV-UHFFFAOYSA-N |