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)-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
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)-N'-[3-(methylsulfanyl)phenyl]urea
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)-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | D471-1359 |
| Compound Name: | 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)-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 498.99 |
| Molecular Formula: | C23 H23 Cl N6 O3 S |
| Smiles: | CC(C)N1C=NC2=NC(COc3ccc(cc3NC(Nc3cccc(c3)SC)=O)[Cl])=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7452 |
| logD: | 3.4018 |
| logSw: | -4.299 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.368 |
| InChI Key: | FFXZPEOXBRVGFS-UHFFFAOYSA-N |