N-{3-[6-(4-{[Bis-(2-hydroxy-ethyl)-amino]-methyl}-phenylamino)4-methyl-5-oxo-4,5-dihydro-pyrazin-2-yl]-2-methyl-phenyl}4-tert-butyl-benzamide

HCID 58729014
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Basic information

Standard SMILES
Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cn(C)c(=O)c(Nc2ccc(CN(CCO)CCO)cc2)n1
InChIKey
BMUUZFMNJYFELJ-UHFFFAOYSA-N
Molecular formula
C34H41N5O4
Average molar mass
583.7 g/mol

Names & identifiers

Preferred name
N-{3-[6-(4-{[Bis-(2-hydroxy-ethyl)-amino]-methyl}-phenylamino)4-methyl-5-oxo-4,5-dihydro-pyrazin-2-yl]-2-methyl-phenyl}4-tert-butyl-benzamide
IUPAC
N-[3-[6-[4-[[bis(2-hydroxyethyl)amino]methyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-4-tert-butylbenzamide

Names & synonyms

SCHEMBL1068640BMUUZFMNJYFELJ-UHFFFAOYSA-NN-{3-[6-(4-{[Bis-(2-hydroxy-ethyl)-amino]-methyl}-phenylamino)-4-methyl-5-oxo-4,5-dihydro-pyrazin-2-yl]-2-methyl-phenyl}-4-tert-butyl-benzamideN-{3-[6-(4-{[Bis-(2-hydroxy-ethyl)-amino]-methyl}-phenylamino)4-methyl-5-oxo-4,5-dihydro-pyrazin-2-yl]-2-methyl-phenyl}4-tert-butyl-benzamide

Database identifiers

PubChem CID
58729014

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
118 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
12
Heavy atoms
43

Related reactions

2 records
New reaction record

Compound notes

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