Chemical ID: 5458946

Cc1ccc(c(c1)Br)NC(=O)CSc2nncn2c3ccccc3
Chemical ID:
5458946
Name [?]:
N-(2-bromo-4-methyl-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
Cc1ccc(c(c1)Br)NC(=O)CSc2nncn2c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H15BrN4OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.2508
Area:563.278
Solvation:-2.83112
Coulombic:-32.6424
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:403.297
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.38
LogP (Chemaxon):3.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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