Chemical ID: 5316563

COc1ccc(cc1)c2[nH]c(nn2)SCC(=O)NCCc3ccccc3
Chemical ID:
5316563
Name [?]:
2-[[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide
SMILES [?]:
COc1ccc(cc1)c2[nH]c(nn2)SCC(=O)NCCc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20N4O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.259
Area:624.077
Solvation:-4.34296
Coulombic:-46.0523
Bond Count [?]
All:28
Single:19
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:368.454
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.44
LogP (Chemaxon):2.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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