Basic information
- Standard SMILES
COc1ccc(C2CCOCC2)c2sc(NC(=O)c3ccnc(CN4CCCC4)c3)nc12- InChIKey
ATVDCFXFXJFATD-UHFFFAOYSA-N- Molecular formula
- C24H28N4O3S
- Average molar mass
- 452.6 g/mol
Names & identifiers
- Preferred name
- N-[4-Methoxy-7-(tetrahydro-pyran-4-yl)-benzothiazol-2-yl]-2-pyrrolidin-1-ylmethyl-isonicotinamide
- IUPAC
- N-[4-methoxy-7-(oxan-4-yl)-1,3-benzothiazol-2-yl]-2-(pyrrolidin-1-ylmethyl)pyridine-4-carboxamide
Names & synonyms
SCHEMBL6178329ATVDCFXFXJFATD-UHFFFAOYSA-NN-[4-Methoxy-7-(tetrahydro-pyran-4-yl)-benzothiazol-2-yl]-2-pyrrolidin-1-ylmethyl-isonicotinamide
Database identifiers
- PubChem CID
- 10195183
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 628
Related reactions
2 records
Compound notes
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