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[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate

[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate structure

CAS No:
749868-53-9
Formula:
C21H18N4O7
Chemical Name:
[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
Synonyms:
MLS002249804;CHEMBL1733026;HMS3057I15;ZINC2643154;AKOS033634072;MCULE-9416061891;SMR001317229;Z18636170;2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]amino}-2-oxoethyl 4-(2-cyanoacetamido)benzoate;749868-53-9

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[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate Basic Attributes

Molecular Weight：

438.4 g/mol

Exact Mass：

438.11754893 g/mol

Characteristics

PSA：

156 Å²

Water Solubility：

10.5 [ug/mL]

Computed Properties

Molecular Weight:438.4
XLogP3:2.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:438.11754893
Monoisotopic Mass:438.11754893
Topological Polar Surface Area:156
Heavy Atom Count:32
Complexity:757
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate

Basic Attributes
Characteristics
Computed Properties
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