methyl 2-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 2-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
methyl 2-{5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 8012-3069 |
| Compound Name: | methyl 2-{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(c3ccccc3C(=O)OC)o2)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4496 |
| logD: | 2.4496 |
| logSw: | -2.6378 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.869 |
| InChI Key: | BTFHQCQYTCDTEI-UHFFFAOYSA-N |