methyl 2-chloro-5-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 2-chloro-5-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
methyl 2-chloro-5-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 2082-0127 |
| Compound Name: | methyl 2-chloro-5-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 402.79 |
| Molecular Formula: | C19 H15 Cl N2 O6 |
| Smiles: | CN1C(C(=Cc2ccc(c3ccc(c(c3)C(=O)OC)[Cl])o2)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4877 |
| logD: | 3.4877 |
| logSw: | -3.9934 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.869 |
| InChI Key: | JEFKXQGXIZANKA-UHFFFAOYSA-N |