2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
Compound ID: | 8016-8233 |
Compound Name: | 2-amino-1-(4-chlorophenyl)-7,7-dimethyl-4-{4-[(morpholin-4-yl)methyl]thiophen-2-yl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
Molecular Weight: | 509.07 |
Molecular Formula: | C27 H29 Cl N4 O2 S |
Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2)[Cl])c2cc(CN3CCOCC3)cs2)C(C1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.585 |
logD: | 2.6911 |
logSw: | -4.026 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.036 |
InChI Key: | TUHPXFPOAAELQW-XMMPIXPASA-N |