N-(4-ethoxyphenyl)-N'-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-N'-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
N-(4-ethoxyphenyl)-N'-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
Compound characteristics
Compound ID: | G755-0266 |
Compound Name: | N-(4-ethoxyphenyl)-N'-(5-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea |
Molecular Weight: | 454.53 |
Molecular Formula: | C20 H18 N6 O3 S2 |
Smiles: | CCOc1ccc(cc1)NC(Nc1nnc(SCC2=CC(N3C=CC=CC3=N2)=O)s1)=O |
Stereo: | ACHIRAL |
logP: | 3.8404 |
logD: | 3.8402 |
logSw: | -3.9708 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 88.286 |
InChI Key: | QUPZQTGJZMNAAH-UHFFFAOYSA-N |