Chemical ID: 5140122

Cc1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(cc3)[N+](=O)[O-])CNc4ccc(cc4)F
Chemical ID:
5140122
Name [?]:
2-[[5-[(4-fluorophenyl)aminomethyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(cc3)[N+](=O)[O-])CNc4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H21FN6O3S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:8.67237
Area:744.96
Solvation:-9.95162
Coulombic:-59.2557
Bond Count [?]
All:38
Single:25
Double:13
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:492.527
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.88
LogP (Chemaxon):4.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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