2-amino-4-(2-chloro-4,5-dimethoxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2-chloro-4,5-dimethoxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile
2-amino-4-(2-chloro-4,5-dimethoxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 5983-1280 |
| Compound Name: | 2-amino-4-(2-chloro-4,5-dimethoxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 358.78 |
| Molecular Formula: | C18 H15 Cl N2 O4 |
| Smiles: | COc1cc(C2C(C#N)=C(N)Oc3cc(ccc23)O)c(cc1OC)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4303 |
| logD: | 2.4299 |
| logSw: | -2.6699 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.172 |
| InChI Key: | HMFCRLCCLHZUIX-KRWDZBQOSA-N |