2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide
Basic information
- CAS
499101-76-7- Standard SMILES
O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)Nc1ccc(Oc2ccccc2)cc1- InChIKey
WOLVYSHXLIKWPX-UHFFFAOYSA-N- Molecular formula
- C23H18ClN3O2S3
- Average molar mass
- 500.1 g/mol
- Monoisotopic mass
- 499.024968
Names & identifiers
- Preferred name
- 2-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide
- IUPAC
- 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
- English name
- 2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
- Molecular formula
- C23H18ClN3O2S3
- Molecular weight
- 500.06
Names & synonyms
ZINC18890102-({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)-N-(4-phenoxyphenyl)acetamide499101-76-72-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)-N-(4-phenoxyphenyl)acetamide2-({5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl}thio)-N-(4-phenoxyphenyl)acetamideMFCD03223311STK002147ZINC01889010AKOS002174605ZINC000001889010ST50060246O=C(Nc1ccc(cc1)Oc1ccccc1)CSc1nnc(s1)SCc1ccc(cc1)Cl
Show more names
2-((5-((4-CL-BENZYL)THIO)-1,3,4-THIADIAZOL-2-YL)THIO)-N-(4-PHENOXY-PH)ACETAMIDEAcetamide, 2-[[5-[[(4-chlorophenyl)methyl]thio]-1,3,4-thiadiazol-2-yl]thio]-N-(4-phenoxyphenyl)-2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
2((5((4chlorobenzyl)thio)134thiadiazol2yl)thio)N(4phenoxyphenyl)acetamide2((5((4CHLOROBENZYL)SULFANYL)134THIADIAZOL2YL)SULFANYL)N(4PHENOXYPHENYL)ACETAMIDE2(5((4CHLOROPHENYL)METHYLTHIO)(134THIADIAZOL2YLTHIO))N(4PHENOXYPHENYL)ACETAMIDEC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=NN=C(S3)SCC4=CC=C(C=C4)Cl2((5(((4CHLOROPHENYL)METHYL)SULFANYL)134THIADIAZOL2YL)SULFANYL)N(4PHENOXYPHENYL)ACETAMIDE2((5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)SULFANYL)N(4PHENOXYPHENYL)ACETAMIDE2-{5-[(4-chlorophenyl)methylthio](1,3,4-thiadiazol-2-ylthio)}-N-(4-phenoxyphen yl)acetamide
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 569
Physicochemical properties
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 11.96 · 11.96±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…