N-(3-chlorophenyl)-2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Basic information
- CAS
499101-51-8- Standard SMILES
COc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccc(Cl)cc2)cc1- InChIKey
CFSFTPGTUNYOTM-UHFFFAOYSA-N- Molecular formula
- C23H18Cl2N4O2S
- Average molar mass
- 485.4 g/mol
- Monoisotopic mass
- 484.0527524
Names & identifiers
- Preferred name
- N-(3-chlorophenyl)-2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
- IUPAC
- N-(3-chlorophenyl)-2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
- English name
- N-(3-chlorophenyl)-2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
- Molecular formula
- C23H18Cl2N4O2S
- Molecular weight
- 485.39
Names & synonyms
N-(3-chlorophenyl)-2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamideZINC1828718499101-51-8MFCD03223245STK082549ZINC01828718AKOS001948790ZINC000001828718ST50060218COc1ccc(cc1)c1nnc(n1c1ccc(cc1)Cl)SCC(=O)Nc1cccc(c1)ClCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC(=CC=C4)ClN(3chlorophenyl)2((4(4chlorophenyl)5(4methoxyphenyl)4H124triazol3yl)thio)acetamide
Show more names
N-(3-chlorophenyl)-2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamideAcetamide, N-(3-chlorophenyl)-2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-
N(3CHLOROPHENYL)2(4(4CHLOROPHENYL)5(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDEN(3CHLOROPHENYL)2((4(4CHLOROPHENYL)5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDEN(3CHLOROPHENYL)2((4(4CHLOROPHENYL)5(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDEN-(3-chlorophenyl)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamideN-(3-chlorophenyl)-2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-y lthio)]acetamide
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 603
Physicochemical properties
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 12.19 · 12.19±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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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