methyl 2-chloro-5-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 2-chloro-5-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
methyl 2-chloro-5-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 2082-0126 |
| Compound Name: | methyl 2-chloro-5-{5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 374.74 |
| Molecular Formula: | C17 H11 Cl N2 O6 |
| Smiles: | COC(c1cc(ccc1[Cl])c1ccc(C=C2C(NC(NC2=O)=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6302 |
| logD: | 2.2724 |
| logSw: | -3.7696 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.387 |
| InChI Key: | INMSOZFEBDMBEA-UHFFFAOYSA-N |