Chemical ID: 5891089

Cc1ccccc1CSc2nnc(n2c3ccc(cc3)[N+](=O)[O-])C(C)NC(=O)C4CCCCC4
Chemical ID:
5891089
Name [?]:
N-[1-[4-(4-nitrophenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]cyclohexanecarboxamide
SMILES [?]:
Cc1ccccc1CSc2nnc(n2c3ccc(cc3)[N+](=O)[O-])C(C)NC(=O)C4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H29N5O3S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.4886
Area:737.187
Solvation:-7.9411
Coulombic:-46.9837
Bond Count [?]
All:37
Single:27
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:479.596
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:7.17
LogP (Chemaxon):5.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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