2-amino-1-(2,5-dimethoxyphenyl)-4-(3-hydroxy-4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(2,5-dimethoxyphenyl)-4-(3-hydroxy-4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(2,5-dimethoxyphenyl)-4-(3-hydroxy-4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
Compound ID: | 8009-7631 |
Compound Name: | 2-amino-1-(2,5-dimethoxyphenyl)-4-(3-hydroxy-4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
Molecular Weight: | 447.49 |
Molecular Formula: | C25 H25 N3 O5 |
Smiles: | COc1ccc(c(c1)N1C2CCCC(C=2C(C(C#N)=C1N)c1ccc(c(c1)O)OC)=O)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 2.6601 |
logD: | 2.6401 |
logSw: | -2.9234 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 91.429 |
InChI Key: | ZCCNAWLBIWNSLD-HSZRJFAPSA-N |