methyl {9-[(3-chlorophenyl)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 {9-[(3-chlorophenyl)methyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}acetate
methyl {9-[(3-chlorophenyl)methyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}acetate
Compound characteristics
| Compound ID: | D144-0162 |
| Compound Name: | methyl {9-[(3-chlorophenyl)methyl]-4-methyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}acetate |
| Molecular Weight: | 413.86 |
| Molecular Formula: | C22 H20 Cl N O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc1c2CN(Cc2cccc(c2)[Cl])CO1 |
| Stereo: | ACHIRAL |
| logP: | 4.1376 |
| logD: | 4.0552 |
| logSw: | -4.5543 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.008 |
| InChI Key: | NXCMTIVQDNIRMM-UHFFFAOYSA-N |