 Home > Encyclopedia > [2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate

[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate

[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate structure

CAS No:
956239-74-0
Formula:
C27H29N3O6
Chemical Name:
[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate
Synonyms:
ZINC3333846;AKOS001089965;MCULE-3204387712;Z17900678;{[3,5-dimethyl-1-(4-methylphenyl)-1H-pyrazol-4-yl]carbamoyl}methyl 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate;956239-74-0

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[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate Basic Attributes

Molecular Weight：

491.5 g/mol

Exact Mass：

491.20563565 g/mol

Characteristics

PSA：

109 Å²

Computed Properties

Molecular Weight:491.5
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:491.20563565
Monoisotopic Mass:491.20563565
Topological Polar Surface Area:109
Heavy Atom Count:36
Complexity:771
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoate

Basic Attributes
Characteristics
Computed Properties

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