3-Chloro-N-{3-[(3-{2-[2-(4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-methanesulfonyl-amino]-propyl}-benzamide

HCID 58603542

Basic information

Standard SMILES
CS(=O)(=O)N(CCCNC(=O)c1cccc(Cl)c1)Cc1cccc(-c2ccnc(NCCc3ccc(O)cc3)n2)c1
InChIKey
DNRKIRKFDNLIRL-UHFFFAOYSA-N
Molecular formula
C30H32ClN5O4S
Average molar mass
594.1 g/mol
Monoisotopic mass
593.1863534

Names & identifiers

Preferred name
3-Chloro-N-{3-[(3-{2-[2-(4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-methanesulfonyl-amino]-propyl}-benzamide
IUPAC
3-chloro-N-[3-[[3-[2-[2-(4-hydroxyphenyl)ethylamino]pyrimidin-4-yl]phenyl]methyl-methylsulfonylamino]propyl]benzamide

Names & synonyms

SCHEMBL1469399DNRKIRKFDNLIRL-UHFFFAOYSA-N3-Chloro-N-{3-[(3-{2-[2-(4-hydroxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzyl)-methanesulfonyl-amino]-propyl}-benzamide

Database identifiers

PubChem CID
58603542

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
133 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
13
Heavy atoms
41

Related reactions

3 records

Linked notes

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