9-[(2H-1,3-benzodioxol-5-yl)methyl]-4-phenyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
9-[(2H-1,3-benzodioxol-5-yl)methyl]-4-phenyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
9-[(2H-1,3-benzodioxol-5-yl)methyl]-4-phenyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | C202-2245 |
| Compound Name: | 9-[(2H-1,3-benzodioxol-5-yl)methyl]-4-phenyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 413.43 |
| Molecular Formula: | C25 H19 N O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)N1Cc2c(ccc3C(=CC(=O)Oc23)c2ccccc2)OC1 |
| Stereo: | ACHIRAL |
| logP: | 4.338 |
| logD: | 4.0598 |
| logSw: | -4.5216 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.758 |
| InChI Key: | CXXAQKJAKQDSBM-UHFFFAOYSA-N |