3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-benzyl-6,10-dimethyl-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]-7-benzyl-6,10-dimethyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-benzyl-6,10-dimethyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one
Compound characteristics
| Compound ID: | D144-0650 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-7-benzyl-6,10-dimethyl-3,4-dihydro-2H,8H-pyrano[3,2-g][1,3]benzoxazin-8-one |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C28 H25 N O5 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1cc1CN(Cc3ccc4c(c3)OCO4)COc1c2C |
| Stereo: | ACHIRAL |
| logP: | 5.7538 |
| logD: | 3.7825 |
| logSw: | -5.5656 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.957 |
| InChI Key: | GFJGZPQILAQOFI-UHFFFAOYSA-N |