9-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-4-ethyl-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-ethyl-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-ethyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | D144-0271 |
| Compound Name: | 9-[(2H-1,3-benzodioxol-5-yl)methyl]-6-chloro-4-ethyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 399.83 |
| Molecular Formula: | C21 H18 Cl N O5 |
| Smiles: | CCC1=CC(=O)Oc2c1cc(c1c2CN(Cc2ccc3c(c2)OCO3)CO1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6561 |
| logD: | 4.0321 |
| logSw: | -4.9257 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.714 |
| InChI Key: | BAJCDGNSVOYDHY-UHFFFAOYSA-N |