2-amino-7-methoxy-4-(8-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7-methoxy-4-(8-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1-benzopyran-3-carbonitrile
2-amino-7-methoxy-4-(8-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8020-7164 |
| Compound Name: | 2-amino-7-methoxy-4-(8-nitro-2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 381.34 |
| Molecular Formula: | C19 H15 N3 O6 |
| Smiles: | COc1ccc2C(C(C#N)=C(N)Oc2c1)c1cc(c2c(c1)OCCO2)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9977 |
| logD: | 1.9977 |
| logSw: | -2.7127 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.426 |
| InChI Key: | QVYRQKKGHDPAFT-KRWDZBQOSA-N |