2-bromo-4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl acetate
Chemical Structure Depiction of
2-bromo-4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl acetate
2-bromo-4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl acetate
Compound characteristics
| Compound ID: | Y508-6221 |
| Compound Name: | 2-bromo-4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-6-methoxyphenyl acetate |
| Molecular Weight: | 411.21 |
| Molecular Formula: | C16 H15 Br N2 O6 |
| Smiles: | CC(=O)Oc1c(cc(C=C2C(N(C)C(N(C)C2=O)=O)=O)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 1.8867 |
| logD: | 1.8867 |
| logSw: | -2.2586 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.68 |
| InChI Key: | HUPYJBTVCXIQGZ-UHFFFAOYSA-N |