Chemical ID: 5311085

COc1ccc(cc1)NC(=O)CSc2[nH]c(nn2)Cc3ccccc3
Chemical ID:
5311085
Name [?]:
2-[(5-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxyphenyl)-acetamide
SMILES [?]:
COc1ccc(cc1)NC(=O)CSc2[nH]c(nn2)Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18N4O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.2237
Area:587.429
Solvation:-4.46203
Coulombic:-43.8852
Bond Count [?]
All:27
Single:18
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:354.427
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.95
LogP (Chemaxon):2.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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