2-amino-4-{3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-{3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3132-1169 |
| Compound Name: | 2-amino-4-{3-[(3-chlorophenoxy)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 464.95 |
| Molecular Formula: | C26 H25 Cl N2 O4 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)O2)c2ccc(c(COc3cccc(c3)[Cl])c2)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5336 |
| logD: | 4.5336 |
| logSw: | -4.9739 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.46 |
| InChI Key: | VZILAHFGOGTEPF-HSZRJFAPSA-N |