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ethyl 4-[[3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoate

ethyl 4-[[3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoate structure

CAS No:
88351-74-0
Formula:
C24H21N3O3S2
Chemical Name:
ethyl 4-[[3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoate
Synonyms:
Benzoic acid, 4-((4-(((2-thioxo-3(2H)-benzothiazolyl)methyl)amino)benzoyl)amino)-, ethyl ester;88351-74-0;BRN 4602007;4-((4-(((2-Thioxo-3(2H)-benzothiazolyl)methyl)amino)benzoyl)amino)benzoic acid ethyl ester;DTXSID50236993

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ethyl 4-[[3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoate Basic Attributes

Molecular Weight：

463.6 g/mol

Exact Mass：

463.10243389 g/mol

DSSTox ID：

DTXSID50236993

Characteristics

PSA：

128 Å²

Computed Properties

Molecular Weight:463.6
XLogP3:5.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:463.10243389
Monoisotopic Mass:463.10243389
Topological Polar Surface Area:128
Heavy Atom Count:32
Complexity:683
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[[3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylamino]benzoyl]amino]benzoate

Basic Attributes
Characteristics
Computed Properties
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