2-{4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}-5-nitrobenzonitrile
Chemical Structure Depiction of
2-{4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}-5-nitrobenzonitrile
2-{4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}-5-nitrobenzonitrile
Compound characteristics
| Compound ID: | 3175-0382 |
| Compound Name: | 2-{4-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-2-methoxyphenoxy}-5-nitrobenzonitrile |
| Molecular Weight: | 436.38 |
| Molecular Formula: | C21 H16 N4 O7 |
| Smiles: | CN1C(C(=Cc2ccc(c(c2)OC)Oc2ccc(cc2C#N)[N+]([O-])=O)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7527 |
| logD: | 2.7527 |
| logSw: | -3.4094 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 110.115 |
| InChI Key: | LHSYQCFNPGDLHW-UHFFFAOYSA-N |