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[2-oxo-2-(2-phenylethylamino)ethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate

[2-oxo-2-(2-phenylethylamino)ethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate structure

CAS No:
478849-14-8
Formula:
C20H19N5O5S
Chemical Name:
[2-oxo-2-(2-phenylethylamino)ethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate
Synonyms:
ZINC3240818;AKOS033667862;MCULE-4572352878;Z19255817;[(2-phenylethyl)carbamoyl]methyl 4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate;478849-14-8

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[2-oxo-2-(2-phenylethylamino)ethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Basic Attributes

Molecular Weight：

441.5 g/mol

Exact Mass：

441.11068990 g/mol

Characteristics

PSA：

157 Å²

Computed Properties

Molecular Weight:441.5
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:441.11068990
Monoisotopic Mass:441.11068990
Topological Polar Surface Area:157
Heavy Atom Count:31
Complexity:628
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-oxo-2-(2-phenylethylamino)ethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate

Basic Attributes
Characteristics
Computed Properties
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