2,7-diamino-4-(2,4-dichlorophenyl)-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2,7-diamino-4-(2,4-dichlorophenyl)-4H-1-benzopyran-3-carbonitrile
2,7-diamino-4-(2,4-dichlorophenyl)-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-1362 |
| Compound Name: | 2,7-diamino-4-(2,4-dichlorophenyl)-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 332.19 |
| Molecular Formula: | C16 H11 Cl2 N3 O |
| Smiles: | C(C1C(c2ccc(cc2OC=1N)N)c1ccc(cc1[Cl])[Cl])#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3874 |
| logD: | 3.3872 |
| logSw: | -3.8991 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 67.1 |
| InChI Key: | OCNISWAUBSKCDQ-OAHLLOKOSA-N |