Chemical ID: 5305400

CN(C)c1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)c3ccccc3
Chemical ID:
5305400
Name [?]:
2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-dimethylaminophenyl)-acetamide
SMILES [?]:
CN(C)c1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23N5OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.4482
Area:634.67
Solvation:-3.41855
Coulombic:-41.5472
Bond Count [?]
All:30
Single:20
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:393.506
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.36
LogP (Chemaxon):4.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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