octanedioic acid [4-(3-Nitro-phenyl)-thiazol-2-yl]-amide methyl ester

HCID 44550802
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Basic information

Standard SMILES
COC(=O)CCCCCCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1
InChIKey
KLSOFMBKKNFAJX-UHFFFAOYSA-N
Molecular formula
C18H21N3O5S
Average molar mass
391.4 g/mol

Names & identifiers

Preferred name
octanedioic acid [4-(3-Nitro-phenyl)-thiazol-2-yl]-amide methyl ester
IUPAC
methyl 8-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-8-oxooctanoate

Names & synonyms

SCHEMBL13233991KLSOFMBKKNFAJX-UHFFFAOYSA-Noctanedioic acid [4-(3-Nitro-phenyl)-thiazol-2-yl]-amide methyl ester

Database identifiers

PubChem CID
44550802

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
142 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
10
Heavy atoms
27

Related reactions

4 records
New reaction record

Compound notes

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