9-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[4,5]pyrano[3,2-g][1,3]benzoxazin-4(1H)-one
Chemical Structure Depiction of
9-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[4,5]pyrano[3,2-g][1,3]benzoxazin-4(1H)-one
9-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[4,5]pyrano[3,2-g][1,3]benzoxazin-4(1H)-one
Compound characteristics
| Compound ID: | D144-0653 |
| Compound Name: | 9-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-2,3,9,10-tetrahydro-8H-cyclopenta[4,5]pyrano[3,2-g][1,3]benzoxazin-4(1H)-one |
| Molecular Weight: | 391.42 |
| Molecular Formula: | C23 H21 N O5 |
| Smiles: | Cc1c2c(CN(Cc3ccc4c(c3)OCO4)CO2)cc2C3CCCC=3C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.1378 |
| logD: | 2.1664 |
| logSw: | -4.2782 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.515 |
| InChI Key: | MRKMBOCKWLBZDT-UHFFFAOYSA-N |