2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Chemical Structure Depiction of
2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Available: 57 mg
Amount:
mg
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Compound characteristics

Compound ID: 8008-5203
Compound Name: 2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Molecular Weight: 472.58
Molecular Formula: C27 H25 F N4 O S
Smiles: CC1(C)CC2=C(C(C(C#N)=C(N)N2c2c(C#N)c3CCCCc3s2)c2ccc(cc2)F)C(C1)=O
Stereo: RACEMIC MIXTURE
logP: 4.6672
logD: 4.6672
logSw: -4.8089
Hydrogen bond acceptors count: 4
Hydrogen bond donors count: 2
Polar surface area: 70.423
InChI Key: XTYURHJBDKVJQH-QHCPKHFHSA-N
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