N-(4-ethylphenyl)-N'-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)urea
Chemical Structure Depiction of
N-(4-ethylphenyl)-N'-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)urea
N-(4-ethylphenyl)-N'-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)urea
Compound characteristics
Compound ID: | G566-1038 |
Compound Name: | N-(4-ethylphenyl)-N'-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)urea |
Molecular Weight: | 491.59 |
Molecular Formula: | C24 H21 N5 O3 S2 |
Smiles: | CCc1ccc(cc1)NC(Nc1ccc2c(c1)sc(n2)SCC1=CC(N2C(C=C(C)O2)=N1)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.3929 |
logD: | 5.3929 |
logSw: | -5.3312 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.815 |
InChI Key: | WXDATZPGVSWKPY-UHFFFAOYSA-N |