Chemical ID: 5308199

Cc1ccc(cc1C)NC(=O)CSc2nnc(n2CC=C)COc3ccccc3
Chemical ID:
5308199
Name [?]:
2-[[4-allyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CSc2nnc(n2CC=C)COc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H24N4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.176
Area:664.185
Solvation:-4.42859
Coulombic:-42.3886
Bond Count [?]
All:31
Single:21
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:408.518
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.7
LogP (Chemaxon):4.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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