Chemical ID: 4468978

Cc1cc(ccc1Br)NC(=O)CSc2nnc(n2C)CCc3ccccc3
Chemical ID:
4468978
Name [?]:
N-(4-bromo-3-methyl-phenyl)-2-[(4-methyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILES [?]:
Cc1cc(ccc1Br)NC(=O)CSc2nnc(n2C)CCc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21BrN4OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.9505
Area:641.291
Solvation:-3.08175
Coulombic:-33.194
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:445.377
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.54
LogP (Chemaxon):4.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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