2-amino-4-(3-chloro-4-methoxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3-chloro-4-methoxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile
2-amino-4-(3-chloro-4-methoxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 5983-1343 |
| Compound Name: | 2-amino-4-(3-chloro-4-methoxyphenyl)-7-hydroxy-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 328.75 |
| Molecular Formula: | C17 H13 Cl N2 O3 |
| Smiles: | COc1ccc(cc1[Cl])C1C(C#N)=C(N)Oc2cc(ccc12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7533 |
| logD: | 2.753 |
| logSw: | -3.1585 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.541 |
| InChI Key: | AQWVLDZLMLGJHI-INIZCTEOSA-N |