3-{[3-(1H-benzimidazol-2-yl)-6-bromo-2H-1-benzopyran-2-ylidene]amino}benzonitrile
Chemical Structure Depiction of
3-{[3-(1H-benzimidazol-2-yl)-6-bromo-2H-1-benzopyran-2-ylidene]amino}benzonitrile
3-{[3-(1H-benzimidazol-2-yl)-6-bromo-2H-1-benzopyran-2-ylidene]amino}benzonitrile
Compound characteristics
| Compound ID: | 1319-0231 |
| Compound Name: | 3-{[3-(1H-benzimidazol-2-yl)-6-bromo-2H-1-benzopyran-2-ylidene]amino}benzonitrile |
| Molecular Weight: | 441.29 |
| Molecular Formula: | C23 H13 Br N4 O |
| Smiles: | C1=C(/C(=N/c2cccc(C#N)c2)Oc2ccc(cc12)[Br])c1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 5.1435 |
| logD: | 4.2241 |
| logSw: | -5.5695 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.021 |
| InChI Key: | FVNUFSFLIJWVGT-UHFFFAOYSA-N |