N-(3-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-(3-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-(3-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: | G566-1017 |
Compound Name: | N-(3-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(Nc4cccc(c4)OC)=O)s3)=CC(N2O1)=O |
Stereo: | ACHIRAL |
logP: | 3.1136 |
logD: | 3.1135 |
logSw: | -3.4137 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 101.183 |
InChI Key: | DCONNSUMUCANRJ-UHFFFAOYSA-N |