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2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile structure

CAS No:
213203-88-4
Formula:
C22H23ClN2OS
Chemical Name:
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Synonyms:
Oprea1_492382;Oprea1_524783;ZINC2315008;STK860591;AKOS000526431;MCULE-8495396529;SR-01000397633;SR-01000397633-1;2-[2-(4-Chloro-phenyl)-2-oxo-ethylsulfanyl]-4-isobutyl-5,6,7,8-tetrahydro-quinol;2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile;213203-88-4

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2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Basic Attributes

Molecular Weight：

398.9 g/mol

Exact Mass：

398.1219622 g/mol

Characteristics

PSA：

79 Å²

XLogP3：

5.65898

Melting Point：

101 - 102 °C (ethanol)

Computed Properties

Molecular Weight:398.9
XLogP3:6.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:398.1219622
Monoisotopic Mass:398.1219622
Topological Polar Surface Area:79
Heavy Atom Count:27
Complexity:552
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(2-methylpropyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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