Chemical ID: 5843505

CCc1ccc(cc1)OCc2nnc(n2C)SCC(=O)Nc3cccc(c3)SC
Chemical ID:
5843505
Name [?]:
2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methylsulfanylphenyl)-acetamide
SMILES [?]:
CCc1ccc(cc1)OCc2nnc(n2C)SCC(=O)Nc3cccc(c3)SC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H24N4O2S2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.5626
Area:690.496
Solvation:-4.69978
Coulombic:-41.305
Bond Count [?]
All:31
Single:22
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:428.573
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.86
LogP (Chemaxon):4.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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