methyl {6-chloro-9-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}acetate
Chemical Structure Depiction of
methyl {6-chloro-9-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}acetate
methyl {6-chloro-9-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}acetate
Compound characteristics
| Compound ID: | Y040-4887 |
| Compound Name: | methyl {6-chloro-9-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}acetate |
| Molecular Weight: | 443.88 |
| Molecular Formula: | C23 H22 Cl N O6 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1cc(c1c2CN(Cc2ccc(cc2)OC)CO1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3774 |
| logD: | 4.3303 |
| logSw: | -4.6737 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.236 |
| InChI Key: | HPUFVUHGOMKNFV-UHFFFAOYSA-N |