4-butyl-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-butyl-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
4-butyl-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | G566-0285 |
| Compound Name: | 4-butyl-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide |
| Molecular Weight: | 510.68 |
| Molecular Formula: | C26 H30 N4 O3 S2 |
| Smiles: | CCCCC1CCC(CC1)C(Nc1ccc2c(c1)sc(n2)SCC1=CC(N2C(C=C(C)O2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7969 |
| logD: | 5.7967 |
| logSw: | -5.403 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.795 |
| InChI Key: | JBVDHDFYEPKAHS-UHFFFAOYSA-N |