Basic information
- Standard SMILES
COCCN(C)c1ccc(OC)c2nc(NC(=O)c3ccnc(N4CCOCC4)c3)sc12- InChIKey
JMVBJQALBDHTLB-UHFFFAOYSA-N- Molecular formula
- C22H27N5O4S
- Average molar mass
- 457.5 g/mol
- Monoisotopic mass
- 457.17837553
Names & identifiers
- Preferred name
- N-{4-methoxy-7-[(2-methoxy-ethyl)-methyl-amino]-benzothiazol-2-yl}-2-morpholin-4-yl-isonicotinamide
- IUPAC
- N-[4-methoxy-7-[2-methoxyethyl(methyl)amino]-1,3-benzothiazol-2-yl]-2-morpholin-4-ylpyridine-4-carboxamide
Names & synonyms
SCHEMBL6868256JMVBJQALBDHTLB-UHFFFAOYSA-NN-{4-methoxy-7-[(2-methoxy-ethyl)-methyl-amino]-benzothiazol-2-yl}-2-morpholin-4-yl-isonicotinamide
Database identifiers
- PubChem CID
- 10238546
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 611
Related reactions
2 records
Compound notes
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