Chemical ID: 5128490

Cc1ccc(cc1)c2nnc(n2c3ccccc3)SC(C)C(=O)Nc4c(cccc4C)C
Chemical ID:
5128490
Name [?]:
N-(2,6-dimethylphenyl)-2-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILES [?]:
Cc1ccc(cc1)c2nnc(n2c3ccccc3)SC(C)C(=O)Nc4c(cccc4C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H26N4OS
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:13.9845
Area:671.535
Solvation:-2.80387
Coulombic:-36.1797
Bond Count [?]
All:35
Single:23
Double:12
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:442.577
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.28
LogP (Chemaxon):5.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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