ethyl {4-[(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)carbamamido]phenyl}acetate
Chemical Structure Depiction of
ethyl {4-[(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)carbamamido]phenyl}acetate
ethyl {4-[(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)carbamamido]phenyl}acetate
Compound characteristics
| Compound ID: | G566-1091 |
| Compound Name: | ethyl {4-[(2-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)carbamamido]phenyl}acetate |
| Molecular Weight: | 492.55 |
| Molecular Formula: | C25 H24 N4 O5 S |
| Smiles: | CCOC(Cc1ccc(cc1)NC(Nc1ccccc1SCC1=CC(N2C(C=C(C)O2)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2832 |
| logD: | 3.2832 |
| logSw: | -3.4705 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.194 |
| InChI Key: | WTPBBTGEPJIUPH-UHFFFAOYSA-N |