2-amino-4-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3132-1164 |
| Compound Name: | 2-amino-4-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 439.85 |
| Molecular Formula: | C22 H18 Cl N3 O5 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(c3cc(ccc3[Cl])[N+]([O-])=O)o2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9921 |
| logD: | 3.9921 |
| logSw: | -4.5872 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.383 |
| InChI Key: | FEQPIPNKQMBNBE-IBGZPJMESA-N |