2-({3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}methyl)benzonitrile
Chemical Structure Depiction of
2-({3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}methyl)benzonitrile
2-({3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | 3786-1965 |
| Compound Name: | 2-({3-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}methyl)benzonitrile |
| Molecular Weight: | 398.42 |
| Molecular Formula: | C23 H18 N4 O3 |
| Smiles: | CN1C(C(=Cc2cn(Cc3ccccc3C#N)c3ccccc23)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0805 |
| logD: | 3.0805 |
| logSw: | -3.2753 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.914 |
| InChI Key: | PHLLRTVUJLRWIW-UHFFFAOYSA-N |