Chemical ID: 5795071

CC1(C(N(C(=S)S1)N=CC=Cc2ccc(o2)[N+](=O)[O-])N(C(=O)NC3CCCCC3)O)C
Chemical ID:
5795071
Name [?]:
3-cyclohexyl-1-[5,5-dimethyl-3-[3-(5-nitro-2-furyl)prop-2-enylideneamino]-2-thioxo-thiazolidin-4-yl]-1-hydroxy-urea
SMILES [?]:
CC1(C(N(C(=S)S1)N=CC=Cc2ccc(o2)[N+](=O)[O-])N(C(=O)NC3CCCCC3)O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H25N5O5S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:6.2977
Area:681.121
Solvation:-10.7303
Coulombic:-67.8355
Bond Count [?]
All:33
Single:26
Double:7
Rotors:8
Chiral:2
Rigid Segments:8
Chemical Properties
Molecular Weight:467.565
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:2.97
LogP (Chemaxon):3.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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