3-[N-(3-methylsulfonyloxypropyl)-4-[[4-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]anilino]propyl methanesulfonate
Basic information
- CAS
62177-65-5- Standard SMILES
CCCOc1ccc(-c2nc(-c3ccc(N=Cc4ccc(N(CCCOS(C)(=O)=O)CCCOS(C)(=O)=O)cc4)cc3)cs2)cc1- InChIKey
OBTBPESAAKHERP-UHFFFAOYSA-N- Molecular formula
- C33H39N3O7S3
- Average molar mass
- 685.9 g/mol
- Monoisotopic mass
- 685.19501411
Names & identifiers
- Preferred name
- 3-[N-(3-methylsulfonyloxypropyl)-4-[[4-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]anilino]propyl methanesulfonate
- IUPAC
- 3-[N-(3-methylsulfonyloxypropyl)-4-[[4-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]anilino]propyl methanesulfonate
Names & synonyms
62177-65-53-[N-(3-methylsulfonyloxypropyl)-4-[[4-[2-(4-propoxyphenyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]anilino]propyl methanesulfonateDTXSID70329896({4-[(E)-({4-[2-(4-Propoxyphenyl)-1,3-thiazol-4-yl]phenyl}imino)methyl]phenyl}azanediyl)di(propane-3,1-diyl) dimethanesulfonate
Database identifiers
- CAS
62177-65-5- PubChem CID
- 424869
- DTXSID
DTXSID70329896
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 18
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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