Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| December 11th, 2008 |
31 |
No
|
Popular Name:
((2S,4S)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate
((2S,4S)-2-((1H-1,2,4-Triazol-1-…
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CAS Numbers:
113770-65-3
, 134071-44-6
, [113770-65-3]
Other Names:
((2S,4S)-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl4-methylbenzenesulfonate
(2R,4R) cis-(2,4-dichlorophenyl)-2-(1,2,4-triazole-1-yl-methyl)-1,3-dioxolane-4yl-methyl-p-tolysulfonate
(cis-2-((1H-1,2,4-Triazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate
MFCD08706387
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Physical Representations
|
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
|
Ref
Reference (pH 7)
|
3.54 |
11.05 |
-14.49 |
0 |
8 |
0 |
93 |
484.361 |
7 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| PUBCHEM_PATENT_ID |
US5952502; US6166018 |
IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
