3-hexyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
Basic information
- CAS
7026-96-2- Standard SMILES
CCCCCCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)csc1=Nc1ccccc1- InChIKey
CTAFZAMUNQODJV-UHFFFAOYSA-N- Molecular formula
- C25H31N3O2S2
- Average molar mass
- 469.7 g/mol
- Monoisotopic mass
- 469.18576959
Names & identifiers
- Preferred name
- 3-hexyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
- IUPAC
- 3-hexyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine
Names & synonyms
7026-96-23-hexyl-N-phenyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imineDTXSID70411664AKOS002708052(2Z)-3-Hexyl-N-phenyl-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazol-2(3H)-imine
Database identifiers
- CAS
7026-96-2- PubChem CID
- 5229094
- DTXSID
DTXSID70411664
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 755
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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