Benzamide, N-2-benzothiazolyl-4-butyl-

HCID 3939072

Notes Reactions

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Basic information

CAS: 200726-42-7
Standard SMILES: CCCCc1ccc(C(=O)Nc2nc3ccccc3s2)cc1
InChIKey: HDOTYOCTLWEVGR-UHFFFAOYSA-N
Molecular formula: C18H18N2OS
Average molar mass: 310.4 g/mol
Monoisotopic mass: 310.11398438

Names & identifiers

Preferred name: Benzamide, N-2-benzothiazolyl-4-butyl-
IUPAC: N-(1,3-benzothiazol-2-yl)-4-butylbenzamide

Names & synonyms

Benzamide, N-2-benzothiazolyl-4-butyl-200726-42-7N-(1,3-benzothiazol-2-yl)-4-butylbenzamideOprea1_019519SCHEMBL2753849DTXSID70398103HDOTYOCTLWEVGR-UHFFFAOYSA-N2-(4-n-butylbenzamido)-1,3-benzthiazole

Database identifiers

CAS: 200726-42-7
PubChem CID: 3939072
DTXSID: DTXSID70398103

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 70.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 368

Related reactions

2 records

New reaction record

HRID 836012As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 2085363As productuspto-grants-2004_04

Compound notes

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