Chemical ID: 5407778

CCn1c(nnc1SCC(=O)Nc2cccc(c2)I)c3ccc(cc3)Cl
Chemical ID:
5407778
Name [?]:
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodophenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2cccc(c2)I)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16ClIN4OS
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:13.1696
Area:637.426
Solvation:-2.76601
Coulombic:-34.5089
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:498.769
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.64
LogP (Chemaxon):5.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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