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Basic information
- Standard SMILES
O=[N+]([O-])c1cccc(-c2nc3sccn3c2-c2ccnc(N[C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)c1- InChIKey
MFWPBWAAXXMNTR-LJQANCHMSA-N- Molecular formula
- C26H22ClN7O4S2
- Average molar mass
- 596.1 g/mol
Names & identifiers
- Preferred name
- N-{(3R)-1-[(4-chlorophenyl)sulfonyl]piperidin-3-yl}-4-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
- IUPAC
- N-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-4-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
Names & synonyms
SCHEMBL2746492MFWPBWAAXXMNTR-LJQANCHMSA-NN-{(3R)-1-[(4-chlorophenyl)sulfonyl]piperidin-3-yl}-4-[6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-amine
Database identifiers
- PubChem CID
- 57463151
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 175 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 993
Related reactions
1 records
Compound notes
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