Basic information
- Standard SMILES
Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ccc(NC(=O)c3ccccc3)cn2)cc1- InChIKey
XIKMSXNGQVLNAW-UHFFFAOYSA-N- Molecular formula
- C35H35N5O5S
- Average molar mass
- 637.7 g/mol
- Monoisotopic mass
- 637.23589041
Names & identifiers
- Preferred name
- N-(6-[2-{6-(4-tert-butylphenylsulfonylamino)-5-(4-methylphenyl)pyrimidin-4-yloxy}ethoxy]pyridin-3-yl)benzamide
- IUPAC
- N-[6-[2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(4-methylphenyl)pyrimidin-4-yl]oxyethoxy]-3-pyridinyl]benzamide
Names & synonyms
SCHEMBL8801858XIKMSXNGQVLNAW-UHFFFAOYSA-NN-(6-[2-{6-(4-tert-butylphenylsulfonylamino)-5-(4-methylphenyl)pyrimidin-4-yloxy}ethoxy]pyridin-3-yl)benzamide
Database identifiers
- PubChem CID
- 19689531
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
3 records
Compound notes
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