methyl 4-(2-amino-3-cyano-7-hydroxy-4H-1-benzopyran-4-yl)benzoate
Chemical Structure Depiction of
methyl 4-(2-amino-3-cyano-7-hydroxy-4H-1-benzopyran-4-yl)benzoate
methyl 4-(2-amino-3-cyano-7-hydroxy-4H-1-benzopyran-4-yl)benzoate
Compound characteristics
| Compound ID: | 5983-1271 |
| Compound Name: | methyl 4-(2-amino-3-cyano-7-hydroxy-4H-1-benzopyran-4-yl)benzoate |
| Molecular Weight: | 322.32 |
| Molecular Formula: | C18 H14 N2 O4 |
| Smiles: | COC(c1ccc(cc1)C1C(C#N)=C(N)Oc2cc(ccc12)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3482 |
| logD: | 2.3479 |
| logSw: | -2.9603 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.085 |
| InChI Key: | GCODKRONMMOXPJ-INIZCTEOSA-N |