Chemical ID: 4456925

CCn1c(nnc1SCC(=O)Nc2cccc(c2C)Cl)C3CC3
Chemical ID:
4456925
Name [?]:
N-(3-chloro-2-methyl-phenyl)-2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2cccc(c2C)Cl)C3CC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H19ClN4OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.563
Area:566.158
Solvation:-2.59094
Coulombic:-32.5266
Bond Count [?]
All:25
Single:19
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:350.867
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.29
LogP (Chemaxon):2.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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