Chemical ID: 4454887

Cc1ccc(cc1)NC(=O)CSc2nnc(n2C)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4454887
Name [?]:
2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSc2nnc(n2C)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H17N5O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.64238
Area:607.978
Solvation:-8.55707
Coulombic:-44.3786
Bond Count [?]
All:29
Single:19
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:383.425
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.74
LogP (Chemaxon):3.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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