N-{7-[bis-(4-methyl-benzyl)-amino]-4-methoxy-benzothiazol-2-yl}-benzamide

HCID 22015745
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Basic information

Standard SMILES
COc1ccc(N(Cc2ccc(C)cc2)Cc2ccc(C)cc2)c2sc(NC(=O)c3ccccc3)nc12
InChIKey
YYMGZTODISPWEF-UHFFFAOYSA-N
Molecular formula
C31H29N3O2S
Average molar mass
507.6 g/mol

Names & identifiers

Preferred name
N-{7-[bis-(4-methyl-benzyl)-amino]-4-methoxy-benzothiazol-2-yl}-benzamide
IUPAC
N-[7-[bis[(4-methylphenyl)methyl]amino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide

Names & synonyms

SCHEMBL5713618YYMGZTODISPWEF-UHFFFAOYSA-NN-{7-[bis-(4-methyl-benzyl)-amino]-4-methoxy-benzothiazol-2-yl}-benzamide

Database identifiers

PubChem CID
22015745

Properties

Computed structural properties

XLogP
7.4
Topological polar surface area
82.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
37

Related reactions

4 records
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Compound notes

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