methyl 4-(3-ethyl-4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoate
Chemical Structure Depiction of
methyl 4-(3-ethyl-4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoate
methyl 4-(3-ethyl-4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoate
Compound characteristics
| Compound ID: | E754-0709 |
| Compound Name: | methyl 4-(3-ethyl-4-methyl-2-oxo-2H,8H-pyrano[2,3-f][1,3]benzoxazin-9(10H)-yl)benzoate |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C22 H21 N O5 |
| Smiles: | CCC1=C(C)c2ccc3c(CN(CO3)c3ccc(cc3)C(=O)OC)c2OC1=O |
| Stereo: | ACHIRAL |
| logP: | 4.826 |
| logD: | 4.826 |
| logSw: | -4.6459 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.322 |
| InChI Key: | VFUKPWVAVWUKJB-UHFFFAOYSA-N |