methyl 2-(3-chlorobenzamido)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate

Chemical Structure Depiction of
methyl 2-(3-chlorobenzamido)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Available: 70 mg
Amount:
mg
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Compound characteristics

Compound ID: 8012-0628
Compound Name: methyl 2-(3-chlorobenzamido)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3,3,3-trifluoroalaninate
Molecular Weight: 485.91
Molecular Formula: C21 H19 Cl F3 N3 O3 S
Smiles: CC1CCc2c(C#N)c(NC(C(=O)OC)(C(F)(F)F)NC(c3cccc(c3)[Cl])=O)sc2C1
Stereo: MIXTURE OF STEREOISOMERS
logP: 5.4784
logD: 3.4166
logSw: -6.0463
Hydrogen bond acceptors count: 6
Hydrogen bond donors count: 2
Polar surface area: 71.472
InChI Key: QCOVOAYRBCLSCG-UHFFFAOYSA-N
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