3-(6-oxo-6,7,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-3(4H)-yl)benzoic acid
Chemical Structure Depiction of
3-(6-oxo-6,7,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-3(4H)-yl)benzoic acid
3-(6-oxo-6,7,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-3(4H)-yl)benzoic acid
Compound characteristics
| Compound ID: | E754-0554 |
| Compound Name: | 3-(6-oxo-6,7,8,9-tetrahydro-2H-cyclopenta[4,5]pyrano[2,3-f][1,3]benzoxazin-3(4H)-yl)benzoic acid |
| Molecular Weight: | 363.37 |
| Molecular Formula: | C21 H17 N O5 |
| Smiles: | C1CC2=C(C1)c1ccc3c(CN(CO3)c3cccc(c3)C(O)=O)c1OC2=O |
| Stereo: | ACHIRAL |
| logP: | 3.9137 |
| logD: | 1.2328 |
| logSw: | -4.0558 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.843 |
| InChI Key: | QPGZATSTMQNLET-UHFFFAOYSA-N |