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N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide

N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide structure

CAS No:
5697-38-1
Formula:
C28H25Cl2N3O2S
Chemical Name:
N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide
Synonyms:
N-(3-CARBAMOYL-6-ETHYL-4,5,6,7-TETRAHYDROBENZOTHIOPHEN-2-YL)-2-(2,4-DICHLOROPHENYL)-3-METHYL-QUINOLINE-4-CARBOXAMIDE; N-[(6R)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide;

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N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide Basic Attributes

Molecular Weight：

538.48800

Exact Mass：

537.1044536

DSSTox ID：

DTXSID20386419

Characteristics

PSA：

116.81000

XLogP3：

8.52890

Density：

1.367g/cm3

Boiling Point：

614.1ºC at 760 mmHg

Flash Point：

325.2ºC

Refractive Index：

1.683

Computed Properties

Molecular Weight:538.5
XLogP3:8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:537.1044536
Monoisotopic Mass:537.1044536
Topological Polar Surface Area:113
Heavy Atom Count:36
Complexity:818
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-(3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide

Basic Attributes
Characteristics
Computed Properties

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