(2-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetonitrile
Chemical Structure Depiction of
(2-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetonitrile
(2-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetonitrile
Compound characteristics
| Compound ID: | 3609-0272 |
| Compound Name: | (2-{[1-(4-bromo-3-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)acetonitrile |
| Molecular Weight: | 440.25 |
| Molecular Formula: | C20 H14 Br N3 O4 |
| Smiles: | Cc1cc(ccc1[Br])N1C(C(=C/c2ccccc2OCC#N)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2906 |
| logD: | 3.251 |
| logSw: | -3.4564 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.387 |
| InChI Key: | MQGXBNZOEMZABF-UHFFFAOYSA-N |