 Home > Encyclopedia > [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate

[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate

[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate structure

CAS No:
729574-15-6
Formula:
C20H13ClN4O7
Chemical Name:
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate
Synonyms:
ZINC3285832;AKOS033779833;MCULE-2148714771;Z21651488;[(5-chloro-2-cyanophenyl)carbamoyl]methyl 3-(4-nitro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate;729574-15-6

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[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Basic Attributes

Molecular Weight：

456.8 g/mol

Exact Mass：

456.0472765 g/mol

Characteristics

PSA：

162 Å²

Computed Properties

Molecular Weight:456.8
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:456.0472765
Monoisotopic Mass:456.0472765
Topological Polar Surface Area:162
Heavy Atom Count:32
Complexity:851
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate

Basic Attributes
Characteristics
Computed Properties
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