2-amino-7-hydroxy-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7-hydroxy-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4H-1-benzopyran-3-carbonitrile
2-amino-7-hydroxy-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-8284 |
| Compound Name: | 2-amino-7-hydroxy-4-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 338.32 |
| Molecular Formula: | C18 H14 N2 O5 |
| Smiles: | COc1cc(cc2c1OCO2)C1C(C#N)=C(N)Oc2cc(ccc12)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2049 |
| logD: | 2.2046 |
| logSw: | -2.6565 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.341 |
| InChI Key: | AXQQFUIYRITDQF-MRXNPFEDSA-N |