methyl 4-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 4-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
methyl 4-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 3358-3562 |
| Compound Name: | methyl 4-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 368.34 |
| Molecular Formula: | C19 H16 N2 O6 |
| Smiles: | CN1C(C(=Cc2ccc(c3ccc(cc3)C(=O)OC)o2)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0204 |
| logD: | 3.0204 |
| logSw: | -3.2348 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.869 |
| InChI Key: | RBBROFDLKRREDN-UHFFFAOYSA-N |