Chemical ID: 4469607

Cc1cc(cc(c1NC(=O)CSc2nnc(n2C)COc3ccccc3)C)Br
Chemical ID:
4469607
Name [?]:
N-(4-bromo-2,6-dimethyl-phenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cc1cc(cc(c1NC(=O)CSc2nnc(n2C)COc3ccccc3)C)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21BrN4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.8581
Area:651.348
Solvation:-4.42558
Coulombic:-40.3499
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:461.376
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.46
LogP (Chemaxon):3.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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