Chemical ID: 5640045

c1ccc(cc1)N=C2NC(=O)C(=Cc3cc4c(cc3Br)OCO4)S2
Chemical ID:
5640045
Name [?]:
5-[(6-bromobenzo[1,3]dioxol-5-yl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3cc4c(cc3Br)OCO4)S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H11BrN2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.99143
Area:531.16
Solvation:-3.28756
Coulombic:-45.1594
Bond Count [?]
All:27
Single:18
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:403.251
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.65
LogP (Chemaxon):4.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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