methyl 4-[(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 4-[(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
methyl 4-[(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | G566-1140 |
| Compound Name: | methyl 4-[(4-{[(2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)carbamamido]benzoate |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C23 H20 N4 O5 S |
| Smiles: | CC1=CC2=NC(CSc3ccc(cc3)NC(Nc3ccc(cc3)C(=O)OC)=O)=CC(N2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7516 |
| logD: | 3.7515 |
| logSw: | -4.1467 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.907 |
| InChI Key: | BNUSTBSKBZYUGQ-UHFFFAOYSA-N |