3-({8-methoxy-4-oxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}methyl)benzonitrile
Chemical Structure Depiction of
3-({8-methoxy-4-oxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}methyl)benzonitrile
3-({8-methoxy-4-oxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | M770-0149 |
| Compound Name: | 3-({8-methoxy-4-oxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-5H-pyrimido[5,4-b]indol-5-yl}methyl)benzonitrile |
| Molecular Weight: | 454.49 |
| Molecular Formula: | C25 H22 N6 O3 |
| Smiles: | CCCc1nc(CN2C=Nc3c4cc(ccc4n(Cc4cccc(C#N)c4)c3C2=O)OC)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.8166 |
| logD: | 3.8166 |
| logSw: | -4.1782 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 82.133 |
| InChI Key: | REIQXQQFKOGWOY-UHFFFAOYSA-N |