 Home > Encyclopedia > [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate

[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate structure

CAS No:
737820-86-9
Formula:
C16H11ClN4O5S2
Chemical Name:
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate
Synonyms:
ZINC3251978;AKOS033667869;MCULE-7595447612;SR-01000043188;SR-01000043188-1;Z19255985;2-(5-chlorothiophen-2-yl)-2-oxoethyl 4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate;737820-86-9

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[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Basic Attributes

Molecular Weight：

438.9 g/mol

Exact Mass：

437.9859395 g/mol

Characteristics

PSA：

173 Å²

Computed Properties

Molecular Weight:438.9
XLogP3:3.9
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:7
Exact Mass:437.9859395
Monoisotopic Mass:437.9859395
Topological Polar Surface Area:173
Heavy Atom Count:28
Complexity:610
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate

Basic Attributes
Characteristics
Computed Properties
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