Chemical ID: 4454977

c1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(c(c3)Cl)Cl)c4ccncc4
Chemical ID:
4454977
Name [?]:
N-(3,4-dichlorophenyl)-2-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
c1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(c(c3)Cl)Cl)c4ccncc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H15Cl2N5OS
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.1661
Area:666.714
Solvation:-3.50178
Coulombic:-38.5733
Bond Count [?]
All:33
Single:21
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:456.348
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.09
LogP (Chemaxon):4.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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