2-iodo-6-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methoxybenzoate
Chemical Structure Depiction of
2-iodo-6-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methoxybenzoate
2-iodo-6-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 3681-1214 |
| Compound Name: | 2-iodo-6-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenyl 4-methoxybenzoate |
| Molecular Weight: | 522.25 |
| Molecular Formula: | C20 H15 I N2 O7 |
| Smiles: | COc1ccc(cc1)C(=O)Oc1c(cc(C=C2C(NC(NC2=O)=O)=O)cc1I)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8392 |
| logD: | 2.4919 |
| logSw: | -3.5961 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.368 |
| InChI Key: | DSOBGUATNRYRCQ-UHFFFAOYSA-N |