N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-4-nitrobenzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-4-nitrobenzene-1-sulfonamide
N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-4-nitrobenzene-1-sulfonamide
Compound characteristics
| Compound ID: | G566-0840 |
| Compound Name: | N-(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-4-nitrobenzene-1-sulfonamide |
| Molecular Weight: | 472.5 |
| Molecular Formula: | C20 H16 N4 O6 S2 |
| Smiles: | CC1=CC2=NC(CSc3ccccc3NS(c3ccc(cc3)[N+]([O-])=O)(=O)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.619 |
| logD: | 2.3211 |
| logSw: | -3.0554 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.764 |
| InChI Key: | BBOSPZGSVINUTC-UHFFFAOYSA-N |