3-benzyl-9-(4-ethylphenyl)-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
3-benzyl-9-(4-ethylphenyl)-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
3-benzyl-9-(4-ethylphenyl)-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | E754-0328 |
| Compound Name: | 3-benzyl-9-(4-ethylphenyl)-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C27 H25 N O3 |
| Smiles: | CCc1ccc(cc1)N1Cc2c(ccc3C(C)=C(Cc4ccccc4)C(=O)Oc23)OC1 |
| Stereo: | ACHIRAL |
| logP: | 6.7005 |
| logD: | 6.7005 |
| logSw: | -5.8186 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.877 |
| InChI Key: | PSKQASISEWJKNT-UHFFFAOYSA-N |