BRN 0870258

[5-oxo-4-(3-oxobutyl)-1,2-diphenylpyrazol-3-yl] 3,4,5-trimethoxybenzoate

CAS: 16006-75-0

Molecular Formula	`C29H28N2O7`
Molecular Weight	516.5 g/mol
LogP	4.6
Topological Polar Surface Area	94.6 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	11
Exact Mass	516.18964
Heavy Atoms	38
Complexity	864.0

Chemical Identifiers

CAS Number	16006-75-0
SMILES	`CC(=O)CCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC`
InChIKey	`NPACHMXGQKWFIO-UHFFFAOYSA-N`

📖 Product Overview

BRN 0870258 (CAS: 16006-75-0) is a chemical compound with molecular formula C29H28N2O7 and molecular weight 516.5 g/mol. Its IUPAC systematic name is [5-oxo-4-(3-oxobutyl)-1,2-diphenylpyrazol-3-yl] 3,4,5-trimethoxybenzoate. LogP 4.6 Topological Polar Surface Area 94.6 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 11 Exact Mass 516.18964 Heavy Atoms 38 Complexity 864.0 InChI Key: NPACHMXGQKWFIO-UHFFFAOYSA-N. SMILES: CC(=O)CCC1=C(N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC.

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