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

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

CAS No:
481023-84-1
Formula:
C18H14BrN5O5S
Chemical Name:
[2-(2-bromoanilino)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate
Synonyms:
ZINC3240233;AKOS033667866;MCULE-7719929761;Z19255926;[(2-bromophenyl)carbamoyl]methyl 4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate;481023-84-1

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

Molecular Weight：

492.3 g/mol

Exact Mass：

490.98990 g/mol

Characteristics

PSA：

157 Å²

Computed Properties

Molecular Weight:492.3
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:490.98990
Monoisotopic Mass:490.98990
Topological Polar Surface Area:157
Heavy Atom Count:30
Complexity:639
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties
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