3-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
3-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one
Compound characteristics
| Compound ID: | E754-0639 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-3,4,7,8,9,10-hexahydro-2H,6H-[2]benzopyrano[3,4-f][1,3]benzoxazin-6-one |
| Molecular Weight: | 391.42 |
| Molecular Formula: | C23 H21 N O5 |
| Smiles: | C1CCC2=C(C1)C(=O)Oc1c2ccc2c1CN(Cc1ccc3c(c1)OCO3)CO2 |
| Stereo: | ACHIRAL |
| logP: | 4.471 |
| logD: | 3.5409 |
| logSw: | -4.4438 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.465 |
| InChI Key: | BNJDIBAZBZORFV-UHFFFAOYSA-N |