Chemical ID: 5540101

CCc1ccccc1N=C2N(C(=O)C(=Cc3ccc4c(c3)OCO4)S2)C5CCCCC5
Chemical ID:
5540101
Name [?]:
5-(benzo[1,3]dioxol-5-ylmethylene)-3-cyclohexyl-2-(2-ethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCc1ccccc1N=C2N(C(=O)C(=Cc3ccc4c(c3)OCO4)S2)C5CCCCC5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H26N2O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.815
Area:597.436
Solvation:-3.12086
Coulombic:-43.2644
Bond Count [?]
All:35
Single:26
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:434.552
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:5.51
LogP (Chemaxon):6.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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