Thiomorpholine, 4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-
Basic information
- CAS
103681-71-6- Standard SMILES
Clc1ccc([C@]2(Cn3ccnc3)OC[C@@H](COc3ccc(N4CCSCC4)cc3)O2)c(Cl)c1- InChIKey
BMALQBLLUDIWLW-ZJSXRUAMSA-N- Molecular formula
- C24H25Cl2N3O3S
- Average molar mass
- 506.4 g/mol
- Monoisotopic mass
- 505.0993682
Names & identifiers
- Preferred name
- Thiomorpholine, 4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-
- IUPAC
- 4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]thiomorpholine
Names & synonyms
103681-71-6Thiomorpholine, 4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-DTXSID90146002RefChem:385182DTXCID5068493SCHEMBL106218834-[4-({(2S,4R)-2-(2,4-Dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]thiomorpholine
Database identifiers
- CAS
103681-71-6- PubChem CID
- 44145337
- DTXSID
DTXSID90146002
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 74.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 624
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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