N-(4-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-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: | G566-1059 |
| Compound Name: | N-(4-ethoxyphenyl)-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: | 507.59 |
| Molecular Formula: | C24 H21 N5 O4 S2 |
| Smiles: | CCOc1ccc(cc1)NC(Nc1ccc2c(c1)sc(n2)SCC1=CC(N2C(C=C(C)O2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8312 |
| logD: | 4.8312 |
| logSw: | -4.6082 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.938 |
| InChI Key: | ZQILSQFJJSWKNW-UHFFFAOYSA-N |