ethyl 3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-6,10-dimethyl-8-oxo-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-7-yl}propanoate
Chemical Structure Depiction of
ethyl 3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-6,10-dimethyl-8-oxo-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-7-yl}propanoate
ethyl 3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-6,10-dimethyl-8-oxo-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-7-yl}propanoate
Compound characteristics
| Compound ID: | D144-0657 |
| Compound Name: | ethyl 3-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-6,10-dimethyl-8-oxo-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-7-yl}propanoate |
| Molecular Weight: | 465.5 |
| Molecular Formula: | C26 H27 N O7 |
| Smiles: | CCOC(CCC1=C(C)c2cc3CN(Cc4ccc5c(c4)OCO5)COc3c(C)c2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7057 |
| logD: | 2.7343 |
| logSw: | -4.4608 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.387 |
| InChI Key: | SCXZWNNNBBVPSP-UHFFFAOYSA-N |