2,6-diamino-4-(3-iodophenyl)-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2,6-diamino-4-(3-iodophenyl)-4H-1-benzopyran-3-carbonitrile
2,6-diamino-4-(3-iodophenyl)-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-0314 |
| Compound Name: | 2,6-diamino-4-(3-iodophenyl)-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 389.19 |
| Molecular Formula: | C16 H12 I N3 O |
| Smiles: | C(C1C(c2cccc(c2)I)c2cc(ccc2OC=1N)N)#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8785 |
| logD: | 2.8785 |
| logSw: | -3.2366 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 67.1 |
| InChI Key: | CQDIOWLLFPKKRX-HNNXBMFYSA-N |