2-({3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}methyl)benzonitrile
Chemical Structure Depiction of
2-({3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}methyl)benzonitrile
2-({3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}methyl)benzonitrile
Compound characteristics
Compound ID: | 4373-1444 |
Compound Name: | 2-({3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}methyl)benzonitrile |
Molecular Weight: | 370.37 |
Molecular Formula: | C21 H14 N4 O3 |
Smiles: | C(c1ccccc1C#N)n1cc(C=C2C(NC(NC2=O)=O)=O)c2ccccc12 |
Stereo: | ACHIRAL |
logP: | 2.223 |
logD: | 1.5887 |
logSw: | -2.9507 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 81.432 |
InChI Key: | JCVXPEQABLUGFU-UHFFFAOYSA-N |