Basic information
- Standard SMILES
COc1ccc(N2CCOCC2)c2sc(NC(=O)c3ccnc(N(C)C4CCCCC4)c3)nc12- InChIKey
XJRYXDHXOKDVIH-UHFFFAOYSA-N- Molecular formula
- C25H31N5O3S
- Average molar mass
- 481.6 g/mol
Names & identifiers
- Preferred name
- 2-(Cyclohexyl-methyl-amino)-N-(4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-isonicotinamide
- IUPAC
- 2-[cyclohexyl(methyl)amino]-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
Names & synonyms
SCHEMBL5561346XJRYXDHXOKDVIH-UHFFFAOYSA-N2-(Cyclohexyl-methyl-amino)-N-(4-methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-isonicotinamide
Database identifiers
- PubChem CID
- 10152069
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 675
Related reactions
2 records
Compound notes
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