N-(3-chloro-4-methylphenyl)-N'-(2-{[(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-methylphenyl)-N'-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea
N-(3-chloro-4-methylphenyl)-N'-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea
Compound characteristics
| Compound ID: | G566-1072 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-N'-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea |
| Molecular Weight: | 454.93 |
| Molecular Formula: | C22 H19 Cl N4 O3 S |
| Smiles: | CC1=CC2=NC(CSc3ccccc3NC(Nc3ccc(C)c(c3)[Cl])=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6182 |
| logD: | 4.6181 |
| logSw: | -4.7107 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.036 |
| InChI Key: | BHBCAQKBZIUQHF-UHFFFAOYSA-N |