Chemical ID: 4107553

CCc1ccc(cc1)N=C2NC(=O)C(=Cc3cc4c(cc3Br)OCO4)S2
Chemical ID:
4107553
Name [?]:
5-[(6-bromobenzo[1,3]dioxol-5-yl)methylene]-2-(4-ethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N=C2NC(=O)C(=Cc3cc4c(cc3Br)OCO4)S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H15BrN2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.2034
Area:578.275
Solvation:-3.25346
Coulombic:-45.2758
Bond Count [?]
All:29
Single:20
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:431.304
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.55
LogP (Chemaxon):5.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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