N-[1-[(1-hydroxy-4-methylsulfanylbutan-2-yl)carbamoyl]cyclohexyl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide

HCID 76589179
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Basic information

Standard SMILES
CSCCC(CO)NC(=O)C1(NC(=O)c2ccc(-c3csc(N4CCN(C)CC4)n3)cc2)CCCCC1
InChIKey
MRKMLJDRIYRUMM-UHFFFAOYSA-N
Molecular formula
C27H39N5O3S2
Average molar mass
545.8 g/mol

Names & identifiers

Preferred name
N-[1-[(1-hydroxy-4-methylsulfanylbutan-2-yl)carbamoyl]cyclohexyl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
IUPAC
N-[1-[(1-hydroxy-4-methylsulfanylbutan-2-yl)carbamoyl]cyclohexyl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide

Database identifiers

PubChem CID
76589179

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
151 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
10
Heavy atoms
37

Related reactions

2 records
New reaction record

Linked notes

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