methyl {9-[2-(4-chlorophenyl)ethyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}acetate
Chemical Structure Depiction of
methyl {9-[2-(4-chlorophenyl)ethyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}acetate
methyl {9-[2-(4-chlorophenyl)ethyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}acetate
Compound characteristics
Compound ID: | D144-0386 |
Compound Name: | methyl {9-[2-(4-chlorophenyl)ethyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}acetate |
Molecular Weight: | 427.88 |
Molecular Formula: | C23 H22 Cl N O5 |
Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc1c2CN(CCc2ccc(cc2)[Cl])CO1 |
Stereo: | ACHIRAL |
logP: | 4.2573 |
logD: | 3.9612 |
logSw: | -4.625 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 53.986 |
InChI Key: | SBZZDCUUTPXBHD-UHFFFAOYSA-N |