Chemical ID: 6183244

CCCCSc1nnc(n1c2cccc(c2)C)CNC(=O)COc3ccccc3
Chemical ID:
6183244
Name [?]:
N-[[5-butylsulfanyl-4-(m-tolyl)-1,2,4-triazol-3-yl]methyl]-2-phenoxy-acetamide
SMILES [?]:
CCCCSc1nnc(n1c2cccc(c2)C)CNC(=O)COc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H26N4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.7228
Area:684.765
Solvation:-4.39635
Coulombic:-42.954
Bond Count [?]
All:31
Single:22
Double:9
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:410.534
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.2
LogP (Chemaxon):3.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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