2-[(2-iodo-6-methoxy-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Chemical Structure Depiction of
2-[(2-iodo-6-methoxy-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
2-[(2-iodo-6-methoxy-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile
Compound characteristics
| Compound ID: | 2896-3476 |
| Compound Name: | 2-[(2-iodo-6-methoxy-4-{[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}phenoxy)methyl]benzonitrile |
| Molecular Weight: | 609.38 |
| Molecular Formula: | C27 H20 I N3 O6 |
| Smiles: | COc1ccc(cc1)N1C(C(=C/c2cc(c(c(c2)I)OCc2ccccc2C#N)OC)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2922 |
| logD: | 3.9892 |
| logSw: | -4.371 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.022 |
| InChI Key: | PGSOEWHGVDMPKU-UHFFFAOYSA-N |