4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethyl-N-{4-methyl-3-[4-(4-pyridyl)thiazol-2-ylamino]phenyl}benzamide

HCID 11786368
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Basic information

Standard SMILES
Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nc(-c2ccncc2)cs1
InChIKey
QRSPJGQLQPXXDD-UHFFFAOYSA-N
Molecular formula
C29H29F3N6OS
Average molar mass
566.6 g/mol

Names & identifiers

Preferred name
4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethyl-N-{4-methyl-3-[4-(4-pyridyl)thiazol-2-ylamino]phenyl}benzamide
IUPAC
4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide

Names & synonyms

4-(4-methylpiperazin-1-ylmethyl)-3-trifluoromethyl-N-{4-methyl-3-[4-(4-pyridyl)thiazol-2-ylamino]phenyl}benzamideSCHEMBL3561586

Database identifiers

PubChem CID
11786368

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
102 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
7
Heavy atoms
40

Related reactions

1 records
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Compound notes

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