9-[(2H-1,3-benzodioxol-5-yl)methyl]-3-ethyl-4-methyl-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]-3-ethyl-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
9-[(2H-1,3-benzodioxol-5-yl)methyl]-3-ethyl-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one
Compound characteristics
| Compound ID: | E754-0693 |
| Compound Name: | 9-[(2H-1,3-benzodioxol-5-yl)methyl]-3-ethyl-4-methyl-9,10-dihydro-2H,8H-pyrano[2,3-f][1,3]benzoxazin-2-one |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C22 H21 N O5 |
| Smiles: | CCC1=C(C)c2ccc3c(CN(Cc4ccc5c(c4)OCO5)CO3)c2OC1=O |
| Stereo: | ACHIRAL |
| logP: | 4.2552 |
| logD: | 3.3251 |
| logSw: | -4.3505 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.544 |
| InChI Key: | AUUCIGGABZUXFR-UHFFFAOYSA-N |