2-[(3-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
Chemical Structure Depiction of
2-[(3-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
2-[(3-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
Compound characteristics
| Compound ID: | 3288-0577 |
| Compound Name: | 2-[(3-{[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile |
| Molecular Weight: | 464.45 |
| Molecular Formula: | C27 H17 F N4 O3 |
| Smiles: | C(c1ccccc1C#N)n1cc(/C=C2/C(NC(N(C2=O)c2ccc(cc2)F)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.7585 |
| logD: | 3.1872 |
| logSw: | -4.0921 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.179 |
| InChI Key: | JFVJEYHSKLHNBQ-UHFFFAOYSA-N |