N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-N'-[3-(methylsulfanyl)phenyl]urea
N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | G566-1151 |
| Compound Name: | N-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C22 H20 N4 O3 S2 |
| Smiles: | CC1=CC2=NC(CSc3ccc(cc3)NC(Nc3cccc(c3)SC)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1218 |
| logD: | 4.1217 |
| logSw: | -4.2348 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.733 |
| InChI Key: | MZNDMCXMKCZGJT-UHFFFAOYSA-N |