Chemical ID: 3845443

c1ccc(cc1)Cc2nnc(n2Cc3ccccc3)SCC(=O)Nc4ccc(cc4)Br
Chemical ID:
3845443
Name [?]:
N-(4-bromophenyl)-2-[(4,5-dibenzyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
c1ccc(cc1)Cc2nnc(n2Cc3ccccc3)SCC(=O)Nc4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H21BrN4OS
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.567
Area:681.066
Solvation:-3.4597
Coulombic:-35.113
Bond Count [?]
All:34
Single:22
Double:12
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:493.42
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.85
LogP (Chemaxon):5.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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