Chemical ID: 5138715

Cc1cc(c(c(c1)C)NC(=O)CSc2nnc(n2C)c3ccc(cc3)[N+](=O)[O-])C
Chemical ID:
5138715
Name [?]:
2-[[4-methyl-5-(4-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)-acetamide
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)CSc2nnc(n2C)c3ccc(cc3)[N+](=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H21N5O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:7.3861
Area:641.898
Solvation:-8.66136
Coulombic:-43.8803
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:411.479
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.19
LogP (Chemaxon):3.35

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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