2,7-diamino-4-(4-nitrophenyl)-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2,7-diamino-4-(4-nitrophenyl)-4H-1-benzopyran-3-carbonitrile
2,7-diamino-4-(4-nitrophenyl)-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-8657 |
| Compound Name: | 2,7-diamino-4-(4-nitrophenyl)-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 308.29 |
| Molecular Formula: | C16 H12 N4 O3 |
| Smiles: | C(C1C(c2ccc(cc2)[N+]([O-])=O)c2ccc(cc2OC=1N)N)#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7497 |
| logD: | 1.7495 |
| logSw: | -2.1902 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 100.481 |
| InChI Key: | ZXVCWIJPEYMWAJ-HNNXBMFYSA-N |