N-(2H-1,3-benzodioxol-5-yl)-N'-(5-chloro-2-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)urea
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N'-(5-chloro-2-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)urea
N-(2H-1,3-benzodioxol-5-yl)-N'-(5-chloro-2-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)urea
Compound characteristics
| Compound ID: | D471-1358 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N'-(5-chloro-2-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)urea |
| Molecular Weight: | 496.91 |
| Molecular Formula: | C23 H21 Cl N6 O5 |
| Smiles: | CC(C)N1C=NC2=NC(COc3ccc(cc3NC(Nc3ccc4c(c3)OCO4)=O)[Cl])=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1174 |
| logD: | 2.7739 |
| logSw: | -3.574 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.483 |
| InChI Key: | UITFRLQZNMYSEN-UHFFFAOYSA-N |