Chemical ID: 5551043

c1ccc(cc1)Cn2c(nnc2SCC(=O)Nc3ccccc3)c4ccncc4
Chemical ID:
5551043
Name [?]:
2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)Cn2c(nnc2SCC(=O)Nc3ccccc3)c4ccncc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H19N5OS
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.6041
Area:618.267
Solvation:-3.8526
Coulombic:-38.8812
Bond Count [?]
All:32
Single:20
Double:12
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:401.485
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.99
LogP (Chemaxon):3.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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