2-amino-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3448-3889 |
| Compound Name: | 2-amino-4-(6-nitro-2H-1,3-benzodioxol-5-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 355.3 |
| Molecular Formula: | C17 H13 N3 O6 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2cc3c(cc2[N+]([O-])=O)OCO3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.623 |
| logD: | 1.623 |
| logSw: | -2.0702 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.798 |
| InChI Key: | GSJKHNKSVZLEAQ-OAHLLOKOSA-N |