Chemical ID: 4866042

Cc1ccc(c(c1)Br)NC(=O)CSc2nnc(n2c3ccc(cc3)Cl)c4ccncc4
Chemical ID:
4866042
Name [?]:
N-(2-bromo-4-methyl-phenyl)-2-[[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)CSc2nnc(n2c3ccc(cc3)Cl)c4ccncc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H17BrClN5OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.8411
Area:687.221
Solvation:-3.33943
Coulombic:-38.486
Bond Count [?]
All:34
Single:22
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:514.826
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.7
LogP (Chemaxon):4.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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