Chemical ID: 5589368

C=CCn1c(nnc1Sc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N3CCOCC3)C4CCCCC4
Chemical ID:
5589368
Name [?]:
4-[4-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-phenyl]sulfonylmorpholine
SMILES [?]:
C=CCn1c(nnc1Sc2ccc(cc2[N+](=O)[O-])S(=O)(=O)N3CCOCC3)C4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H27N5O5S2
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:8.03498
Area:691.568
Solvation:-9.25422
Coulombic:-38.82
Bond Count [?]
All:36
Single:27
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:493.602
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.78
LogP (Chemaxon):3.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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