N-(3-chloro-4-fluorophenyl)-N'-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-N'-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea
N-(3-chloro-4-fluorophenyl)-N'-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea
Compound characteristics
| Compound ID: | G566-1130 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-N'-(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea |
| Molecular Weight: | 458.9 |
| Molecular Formula: | C21 H16 Cl F N4 O3 S |
| Smiles: | CC1=CC2=NC(CSc3ccc(cc3)NC(Nc3ccc(c(c3)[Cl])F)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.391 |
| logD: | 4.3897 |
| logSw: | -4.5701 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.733 |
| InChI Key: | CEDDXJOUDPVDIP-UHFFFAOYSA-N |