9-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Chemical Structure Depiction of
9-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
9-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
Compound ID: | D144-0273 |
Compound Name: | 9-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-4-propyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
Molecular Weight: | 413.86 |
Molecular Formula: | C22 H20 Cl N O5 |
Smiles: | CCCC1=CC(=O)Oc2c1cc(c1c2CN(Cc2ccc3c(c2)OCO3)CO1)[Cl] |
Stereo: | ACHIRAL |
logP: | 5.1691 |
logD: | 4.5451 |
logSw: | -5.5502 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 49.714 |
InChI Key: | OYYLTRSKNNFIAQ-UHFFFAOYSA-N |