Chemical ID: 4455684

CCC(C(=O)Nc1ccc(cc1)C(=O)C)Sc2nnc(n2C)c3ccccc3
Chemical ID:
4455684
Name [?]:
N-(4-acetylphenyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
SMILES [?]:
CCC(C(=O)Nc1ccc(cc1)C(=O)C)Sc2nnc(n2C)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22N4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.6894
Area:626.293
Solvation:-3.96795
Coulombic:-41.9933
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:394.491
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.02
LogP (Chemaxon):3.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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