Chemical ID: 5299406

Cc1cccc(c1)c2nnc(n2CC=C)SCC(=O)Nc3ccccc3Br
Chemical ID:
5299406
Name [?]:
2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromophenyl)-acetamide
SMILES [?]:
Cc1cccc(c1)c2nnc(n2CC=C)SCC(=O)Nc3ccccc3Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19BrN4OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.7965
Area:617.823
Solvation:-2.64904
Coulombic:-36.4444
Bond Count [?]
All:29
Single:19
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:443.361
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.38
LogP (Chemaxon):4.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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