N-(2-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-N'-phenylurea
Chemical Structure Depiction of
N-(2-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-N'-phenylurea
N-(2-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-N'-phenylurea
Compound characteristics
| Compound ID: | D471-0002 |
| Compound Name: | N-(2-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)-N'-phenylurea |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C22 H22 N6 O3 |
| Smiles: | CC(C)N1C=NC2=NC(COc3ccccc3NC(Nc3ccccc3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5928 |
| logD: | 2.2493 |
| logSw: | -3.2935 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.368 |
| InChI Key: | HKMPAPZCBKRVHM-UHFFFAOYSA-N |