Nicotinic acid, (alpha-hexyl-2-thenylidene)hydrazide

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Basic information

CAS: 97018-83-2
Standard SMILES: CCCCCC/C(=N\NC(=O)c1cccnc1)c1cccs1
InChIKey: CSYPCPMWBSMJDM-XDJHFCHBSA-N
Molecular formula: C17H21N3OS
Average molar mass: 315.4 g/mol
Monoisotopic mass: 315.14053348

Names & identifiers

Preferred name: Nicotinic acid, (alpha-hexyl-2-thenylidene)hydrazide
IUPAC: N-[(E)-1-thiophen-2-ylheptylideneamino]pyridine-3-carboxamide

Names & synonyms

NICOTINIC ACID, (alpha-HEXYL-2-THENYLIDENE)HYDRAZIDE97018-83-2RefChem:1092391BRN 0434538Nicotinylhydrazone de la 2-caprothienone [French]Nicotinylhydrazone de la 2-caprothienone

Database identifiers

CAS: 97018-83-2
PubChem CID: 9570925

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 82.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 373

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Compound notes

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