 Home > Encyclopedia > [3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-(3-methylbutyl)-4-oxophthalazine-1-carboxylate

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-(3-methylbutyl)-4-oxophthalazine-1-carboxylate

[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-(3-methylbutyl)-4-oxophthalazine-1-carboxylate structure

CAS No:
735293-88-6
Formula:
C25H23N5O4
Chemical Name:
[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-(3-methylbutyl)-4-oxophthalazine-1-carboxylate
Synonyms:
ZINC3279221;Z25369906;3-cyano-3-(2,3-dihydro-1H-1,3-benzodiazol-2-ylidene)-2-oxopropyl 3-(3-methylbutyl)-4-oxo-3,4-dihydrophthalazine-1-carboxylate;735293-88-6

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[3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-(3-methylbutyl)-4-oxophthalazine-1-carboxylate Basic Attributes

Molecular Weight：

457.5 g/mol

Exact Mass：

457.17500423 g/mol

Characteristics

PSA：

132 Å²

Computed Properties

Molecular Weight:457.5
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:457.17500423
Monoisotopic Mass:457.17500423
Topological Polar Surface Area:132
Heavy Atom Count:34
Complexity:904
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-enyl] 3-(3-methylbutyl)-4-oxophthalazine-1-carboxylate

Basic Attributes
Characteristics
Computed Properties
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