methyl [2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]acetate
Chemical Structure Depiction of
methyl [2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]acetate
methyl [2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]acetate
Compound characteristics
| Compound ID: | Y501-4967 |
| Compound Name: | methyl [2-{[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]acetate |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C21 H18 N2 O6 S |
| Smiles: | COC(CN1C(=Nc2ccccc2C1=O)SCC(c1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4867 |
| logD: | 1.4867 |
| logSw: | -2.5004 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.691 |
| InChI Key: | JMOAADRYYAKWRA-UHFFFAOYSA-N |