Chemical ID: 7140774

Cc1ccccc1N=C2NC(=O)C(=Cc3ccc(o3)Br)S2
Chemical ID:
7140774
Name [?]:
5-[(5-bromo-2-furyl)methylene]-2-(o-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccccc1N=C2NC(=O)C(=Cc3ccc(o3)Br)S2
InChi [?]:
InChI=1/C15H11BrN2O2S/c1-9-4-2-3-5-11(9)17-15-18-14(19)12(21-15)8-10-6-7-13(16)20-10/h2-8H,1H3,(H,17,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,16,17,14,2,15,7,13,18,11,9,20,8,10,12,19,21/rA:21nCCCCCCCNCNCOCCCCCCOBrS/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11BrN2O2S
All Atoms:32
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.00091
Area:489.271
Solvation:-3.23086
Coulombic:-34.5017
Bond Count [?]
All:23
Single:15
Double:8
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:363.23
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.83
LogP (Chemaxon):4.2

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Descriptor Annotations

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