trimethyl 3-(2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)prop-1-ene-1,2,3-tricarboxylate
Chemical Structure Depiction of
trimethyl 3-(2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)prop-1-ene-1,2,3-tricarboxylate
trimethyl 3-(2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)prop-1-ene-1,2,3-tricarboxylate
Compound characteristics
| Compound ID: | 5594-2461 |
| Compound Name: | trimethyl 3-(2-oxo-2H-1,4-benzoxazin-3(4H)-ylidene)prop-1-ene-1,2,3-tricarboxylate |
| Molecular Weight: | 361.31 |
| Molecular Formula: | C17 H15 N O8 |
| Smiles: | COC(/C=C(/C(=C1/C(=O)Oc2ccccc2N1)C(=O)OC)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6294 |
| logD: | 1.213 |
| logSw: | -1.8932 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.766 |
| InChI Key: | DVNLDWSFPOVJCO-UHFFFAOYSA-N |