2-(4-Nitrobenzyl)-4,5,6,7-tetrahydro-1,3-benzothiazole

HCID 69210487
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc(Cc2nc3c(s2)CCCC3)cc1
InChIKey
OKFWABAJSYVKAC-UHFFFAOYSA-N
Molecular formula
C14H14N2O2S
Average molar mass
274.34 g/mol

Names & identifiers

Preferred name
2-(4-Nitrobenzyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
IUPAC
2-[(4-nitrophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazole

Names & synonyms

SCHEMBL4836601OKFWABAJSYVKAC-UHFFFAOYSA-N2-(4-nitrobenzyl)-4,5,6,7-tetrahydro-1,3-benzothiazole

Database identifiers

PubChem CID
69210487

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
87 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
19

Related reactions

1 records
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Compound notes

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