4-Phenyl-3,6-dihydro-2H-pyridine-1-carboxylic acid {4-[propyl-(4,5,6,7-tetrahydrobenzothiazol-6-yl)amino]butyl}amide

HCID 66937481
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Basic information

Standard SMILES
CCCN(CCCCNC(=O)N1CC=C(c2ccccc2)CC1)C1CCc2ncsc2C1
InChIKey
GFXAQNCHIDVQKD-UHFFFAOYSA-N
Molecular formula
C26H36N4OS
Average molar mass
452.7 g/mol
Monoisotopic mass
452.26098296

Names & identifiers

Preferred name
4-Phenyl-3,6-dihydro-2H-pyridine-1-carboxylic acid {4-[propyl-(4,5,6,7-tetrahydrobenzothiazol-6-yl)amino]butyl}amide
IUPAC
4-phenyl-N-[4-[propyl(4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]butyl]-3,6-dihydro-2H-pyridine-1-carboxamide

Names & synonyms

SCHEMBL1193430GFXAQNCHIDVQKD-UHFFFAOYSA-N4-Phenyl-3,6-dihydro-2H-pyridine-1-carboxylic acid {4-[propyl-(4,5,6,7-tetrahydrobenzothiazol-6-yl)amino]butyl}amide

Database identifiers

PubChem CID
66937481

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
76.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
9
Heavy atoms
32

Related reactions

2 records
New reaction record

Compound notes

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