N-(4-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-(4-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-(4-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: | G566-1027 |
| Compound Name: | N-(4-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: | 444.49 |
| Molecular Formula: | C18 H16 N6 O4 S2 |
| Smiles: | CC1=CC2=NC(CSc3nnc(NC(Nc4ccc(cc4)OC)=O)s3)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0296 |
| logD: | 3.0294 |
| logSw: | -3.4957 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.183 |
| InChI Key: | IAOJNGHYPIXOHC-UHFFFAOYSA-N |