[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] 4-nitrobenzoate

HCID 22147263
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Basic information

Standard SMILES
CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1c2ccccc2CC1OC(=O)c1ccc([N+](=O)[O-])cc1
InChIKey
KBBUFKHNQCRDMU-UHFFFAOYSA-N
Molecular formula
C30H26Cl2N4O4
Average molar mass
577.5 g/mol

Names & identifiers

Preferred name
[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] 4-nitrobenzoate
IUPAC
[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] 4-nitrobenzoate

Names & synonyms

SCHEMBL3838910

Database identifiers

PubChem CID
22147263

Properties

Computed structural properties

XLogP
7.7
Topological polar surface area
110 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
40

Related reactions

1 records
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Compound notes

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