4-amino-2-(2-hydroxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
4-amino-2-(2-hydroxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2H-1-benzopyran-3-carbonitrile
4-amino-2-(2-hydroxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 4463-0200 |
| Compound Name: | 4-amino-2-(2-hydroxy-5-nitrophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-2H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 355.35 |
| Molecular Formula: | C18 H17 N3 O5 |
| Smiles: | CC1(C)CC2=C(C(=C(C#N)C(c3cc(ccc3O)[N+]([O-])=O)O2)N)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1978 |
| logD: | 1.9022 |
| logSw: | -2.4433 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.971 |
| InChI Key: | XNYHECIUGHIGRJ-KRWDZBQOSA-N |