ethyl 4-(2,4,6-trioxo-1,3-diazinan-5-ylidene)-4H-1-benzopyran-2-carboxylate
Chemical Structure Depiction of
ethyl 4-(2,4,6-trioxo-1,3-diazinan-5-ylidene)-4H-1-benzopyran-2-carboxylate
ethyl 4-(2,4,6-trioxo-1,3-diazinan-5-ylidene)-4H-1-benzopyran-2-carboxylate
Compound characteristics
| Compound ID: | 4552-0094 |
| Compound Name: | ethyl 4-(2,4,6-trioxo-1,3-diazinan-5-ylidene)-4H-1-benzopyran-2-carboxylate |
| Molecular Weight: | 328.28 |
| Molecular Formula: | C16 H12 N2 O6 |
| Smiles: | CCOC(C1=CC(=C2C(NC(NC2=O)=O)=O)c2ccccc2O1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0627 |
| logD: | 0.6519 |
| logSw: | -2.4388 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.967 |
| InChI Key: | RCIXBDOAQLQFFM-UHFFFAOYSA-N |