Basic information
- Standard SMILES
Cn1cc2ccc(NC(=O)c3ccccc3NCc3ccnc(NC(=O)N4CCSCC4)c3)cc2n1- InChIKey
CKXRZSCATQOIOL-UHFFFAOYSA-N- Molecular formula
- C26H27N7O2S
- Average molar mass
- 501.6 g/mol
- Monoisotopic mass
- 501.1946943
Names & identifiers
- Preferred name
- thiomorpholine-4-carboxylic acid (4-{[2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide
- IUPAC
- N-[4-[[2-[(2-methylindazol-6-yl)carbamoyl]anilino]methyl]-2-pyridinyl]thiomorpholine-4-carboxamide
Names & synonyms
SCHEMBL13714592CKXRZSCATQOIOL-UHFFFAOYSA-Nthiomorpholine-4-carboxylic acid (4-{[2-(2-methyl-2H-indazol-6-ylcarbamoyl)-phenylamino]-methyl}-pyridin-2-yl)-amide
Database identifiers
- PubChem CID
- 57798922
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 752
Related reactions
4 records
Compound notes
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