methyl 4-({2-methyl-4-oxo-9-[(pyridin-2-yl)methyl]-9,10-dihydro-4H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}oxy)benzoate
Chemical Structure Depiction of
methyl 4-({2-methyl-4-oxo-9-[(pyridin-2-yl)methyl]-9,10-dihydro-4H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}oxy)benzoate
methyl 4-({2-methyl-4-oxo-9-[(pyridin-2-yl)methyl]-9,10-dihydro-4H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}oxy)benzoate
Compound characteristics
| Compound ID: | IB08-8339 |
| Compound Name: | methyl 4-({2-methyl-4-oxo-9-[(pyridin-2-yl)methyl]-9,10-dihydro-4H,8H-pyrano[2,3-f][1,3]benzoxazin-3-yl}oxy)benzoate |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C26 H22 N2 O6 |
| Smiles: | CC1=C(C(c2ccc3c(CN(Cc4ccccn4)CO3)c2O1)=O)Oc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.97 |
| logD: | 3.97 |
| logSw: | -4.87 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 118.7 |
| InChI Key: | KOCUUVHTJYLEAO-UHFFFAOYSA-N |