methyl 4-[8-(acetyloxy)-2-methyl-4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-5-yl]benzoate
Chemical Structure Depiction of
methyl 4-[8-(acetyloxy)-2-methyl-4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-5-yl]benzoate
methyl 4-[8-(acetyloxy)-2-methyl-4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-5-yl]benzoate
Compound characteristics
| Compound ID: | 8019-5701 |
| Compound Name: | methyl 4-[8-(acetyloxy)-2-methyl-4-oxo-3,5-dihydro-4H-[1]benzopyrano[2,3-d]pyrimidin-5-yl]benzoate |
| Molecular Weight: | 406.39 |
| Molecular Formula: | C22 H18 N2 O6 |
| Smiles: | CC1NC(C2C(c3ccc(cc3)C(=O)OC)c3ccc(cc3OC=2N=1)OC(C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2234 |
| logD: | 2.2233 |
| logSw: | -3.07 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.314 |
| InChI Key: | DSIACCKQFMOPAE-SFHVURJKSA-N |