Chemical ID: 3843667

CCn1c(nnc1SCC(=O)Nc2cccc(c2)C(=O)C)C3CCCCC3
Chemical ID:
3843667
Name [?]:
N-(3-acetylphenyl)-2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2cccc(c2)C(=O)C)C3CCCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H26N4O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.5558
Area:626.469
Solvation:-4.10595
Coulombic:-39.3742
Bond Count [?]
All:29
Single:22
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:386.512
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.99
LogP (Chemaxon):2.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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