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
- Formal charge
- 0
- Complexity
- 898
Related reactions
3 records
Linked notes
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