3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-butyl-10-methyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-butyl-10-methyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-butyl-10-methyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one
Compound characteristics
| Compound ID: | D144-0647 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-6-butyl-10-methyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C24 H25 N O5 |
| Smiles: | CCCCC1=CC(=O)Oc2c1cc1CN(Cc3ccc4c(c3)OCO4)COc1c2C |
| Stereo: | ACHIRAL |
| logP: | 5.2004 |
| logD: | 3.2291 |
| logSw: | -5.0737 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.714 |
| InChI Key: | ATPLFCDUNSGWRP-UHFFFAOYSA-N |