N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide
Chemical Structure Depiction of
N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide
N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide
Compound characteristics
| Compound ID: | G566-0317 |
| Compound Name: | N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-(3-methylphenoxy)propanamide |
| Molecular Weight: | 506.6 |
| Molecular Formula: | C25 H22 N4 O4 S2 |
| Smiles: | CC(C(Nc1ccc2c(c1)sc(n2)SCC1=CC(N2C(C=C(C)O2)=N1)=O)=O)Oc1cccc(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4697 |
| logD: | 4.4696 |
| logSw: | -4.3256 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.392 |
| InChI Key: | RKSXXYMFLVWPGR-INIZCTEOSA-N |