Chemical ID: 5379988

Cc1ccccc1NC(=O)Cc2nnc(n2CC=C)SCC(=O)Nc3ccc(c(c3)[N+](=O)[O-])C
Chemical ID:
5379988
Name [?]:
2-[4-allyl-5-[(4-methyl-3-nitro-phenyl)carbamoylmethylsulfanyl]-1,2,4-triazol-3-yl]-N-(o-tolyl)acetamide
SMILES [?]:
Cc1ccccc1NC(=O)Cc2nnc(n2CC=C)SCC(=O)Nc3ccc(c(c3)[N+](=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H24N6O4S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:8.39035
Area:723.687
Solvation:-9.70182
Coulombic:-63.7939
Bond Count [?]
All:36
Single:24
Double:12
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:480.541
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.21
LogP (Chemaxon):3.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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