2-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]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-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-8203 |
| Compound Name: | 2-amino-4-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 438.91 |
| Molecular Formula: | C24 H23 Cl N2 O4 |
| Smiles: | Cc1cc(ccc1[Cl])OCc1ccc(C2C(C#N)=C(N)OC3CC(C)(C)CC(C2=3)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7599 |
| logD: | 4.7599 |
| logSw: | -4.7463 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.671 |
| InChI Key: | AIYUESXWODDQBE-NRFANRHFSA-N |