Chemical ID: 5891090

Cc1ccccc1CSc2nnc(n2c3ccc(cc3)[N+](=O)[O-])C(C)NC(=O)C4CC4
Chemical ID:
5891090
Name [?]:
N-[1-[4-(4-nitrophenyl)-5-(o-tolylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]cyclopropanecarboxamide
SMILES [?]:
Cc1ccccc1CSc2nnc(n2c3ccc(cc3)[N+](=O)[O-])C(C)NC(=O)C4CC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23N5O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.22291
Area:688.943
Solvation:-8.00067
Coulombic:-45.9798
Bond Count [?]
All:34
Single:24
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:437.516
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.46
LogP (Chemaxon):4.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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