Chemical ID: 4456610

CCn1c(nnc1SCC(=O)Nc2cc(ccc2C)Cl)Cc3ccccc3
Chemical ID:
4456610
Name [?]:
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-chloro-2-methyl-phenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2cc(ccc2C)Cl)Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21ClN4OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.7996
Area:635.576
Solvation:-3.08983
Coulombic:-33.74
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:400.926
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.61
LogP (Chemaxon):3.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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