2,4-dimethyl-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Chemical Structure Depiction of
2,4-dimethyl-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
2,4-dimethyl-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | G566-0825 |
| Compound Name: | 2,4-dimethyl-N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzene-1-sulfonamide |
| Molecular Weight: | 455.55 |
| Molecular Formula: | C22 H21 N3 O4 S2 |
| Smiles: | CC1=CC2=NC(CSc3ccccc3NS(c3ccc(C)cc3C)(=O)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5727 |
| logD: | 3.4319 |
| logSw: | -3.6977 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.382 |
| InChI Key: | LYFHKKRMJRFIJS-UHFFFAOYSA-N |