N-(5-chloro-2-methoxyphenyl)-N'-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-N'-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
N-(5-chloro-2-methoxyphenyl)-N'-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
| Compound ID: | G566-1001 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-N'-(5-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea |
| Molecular Weight: | 478.93 |
| Molecular Formula: | C18 H15 Cl N6 O4 S2 |
| Smiles: | CC1=CC2=NC(CSc3nnc(NC(Nc4cc(ccc4OC)[Cl])=O)s3)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.301 |
| logD: | 3.3006 |
| logSw: | -3.7735 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.572 |
| InChI Key: | RVXCMFKJZVFSNH-UHFFFAOYSA-N |