Chemical ID: 5154866

CCc1ccc(cc1)OCc2nnc(n2C)SCC(=O)Nc3cccc(c3)C
Chemical ID:
5154866
Name [?]:
2-[[5-[(4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(m-tolyl)acetamide
SMILES [?]:
CCc1ccc(cc1)OCc2nnc(n2C)SCC(=O)Nc3cccc(c3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H24N4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.0108
Area:656.848
Solvation:-4.41042
Coulombic:-40.8791
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.507
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.55
LogP (Chemaxon):4.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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