N-[1-(1H-1,2,3-benzotriazol-1-yl)-(methylsulfanyl)propyl]-4-chlorobenzamide

HCID 86584530
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Basic information

Standard SMILES
CSCCC(NC(=O)c1ccc(Cl)cc1)n1nnc2ccccc21
InChIKey
UXZVQQWTVFVCNT-UHFFFAOYSA-N
Molecular formula
C17H17ClN4OS
Average molar mass
360.9 g/mol

Names & identifiers

Preferred name
N-[1-(1H-1,2,3-benzotriazol-1-yl)-(methylsulfanyl)propyl]-4-chlorobenzamide
IUPAC
N-[1-(benzotriazol-1-yl)-3-methylsulfanylpropyl]-4-chlorobenzamide

Names & synonyms

SCHEMBL4682385UXZVQQWTVFVCNT-UHFFFAOYSA-NN-[1-(1H-1,2,3-benzotriazol-1-yl)-(methylsulfanyl)propyl]-4-chlorobenzamide

Database identifiers

PubChem CID
86584530

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
85.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
24

Related reactions

2 records
New reaction record

Linked notes

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