3-{[3-(1H-benzimidazol-2-yl)-8-methoxy-2H-1-benzopyran-2-ylidene]amino}benzonitrile
Chemical Structure Depiction of
3-{[3-(1H-benzimidazol-2-yl)-8-methoxy-2H-1-benzopyran-2-ylidene]amino}benzonitrile
3-{[3-(1H-benzimidazol-2-yl)-8-methoxy-2H-1-benzopyran-2-ylidene]amino}benzonitrile
Compound characteristics
| Compound ID: | 1319-0112 |
| Compound Name: | 3-{[3-(1H-benzimidazol-2-yl)-8-methoxy-2H-1-benzopyran-2-ylidene]amino}benzonitrile |
| Molecular Weight: | 392.42 |
| Molecular Formula: | C24 H16 N4 O2 |
| Smiles: | COc1cccc2C=C(/C(=N/c3cccc(C#N)c3)Oc12)c1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.2961 |
| logD: | 2.791 |
| logSw: | -4.6174 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.335 |
| InChI Key: | AKITZMMDDXHTKZ-UHFFFAOYSA-N |