3-benzyl-9-[(2-chlorophenyl)methyl]-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
3-benzyl-9-[(2-chlorophenyl)methyl]-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
3-benzyl-9-[(2-chlorophenyl)methyl]-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | E754-0658 |
| Compound Name: | 3-benzyl-9-[(2-chlorophenyl)methyl]-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 431.92 |
| Molecular Formula: | C26 H22 Cl N O3 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc1c2CN(Cc2ccccc2[Cl])CO1 |
| Stereo: | ACHIRAL |
| logP: | 6.0565 |
| logD: | 6.0008 |
| logSw: | -5.9289 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 33.157 |
| InChI Key: | GXJRMCPMHPYSAE-UHFFFAOYSA-N |