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ethyl 4-[[2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]butanoate

ethyl 4-[[2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]butanoate structure

CAS No:
730247-47-9
Formula:
C21H25N5O3S
Chemical Name:
ethyl 4-[[2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]butanoate
Synonyms:
ZINC03294945;ZINC3294945;AKOS033300039;MCULE-5278367020;Z13782335;730247-47-9;ethyl 4-[2-({4-amino-5-[(naphthalen-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]butanoate

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ethyl 4-[[2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]butanoate Basic Attributes

Molecular Weight：

427.5 g/mol

Exact Mass：

427.16781085 g/mol

Characteristics

PSA：

137 Å²

Computed Properties

Molecular Weight:427.5
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:11
Exact Mass:427.16781085
Monoisotopic Mass:427.16781085
Topological Polar Surface Area:137
Heavy Atom Count:30
Complexity:567
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of ethyl 4-[[2-[[4-amino-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]butanoate

Basic Attributes
Characteristics
Computed Properties
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