Chemical ID: 7142030

COc1ccc(c(c1)OC)N2C(=O)C(=Cc3ccc(o3)Br)SC2=S
Chemical ID:
7142030
Name [?]:
5-[(5-bromo-2-furyl)methylene]-3-(2,4-dimethoxyphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
COc1ccc(c(c1)OC)N2C(=O)C(=Cc3ccc(o3)Br)SC2=S
InChi [?]:
InChI=1/C16H12BrNO4S2/c1-20-9-3-5-11(12(7-9)21-2)18-15(19)13(24-16(18)23)8-10-4-6-14(17)22-10/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,4,17,5,18,8,15,3,16,6,7,14,19,12,23,21,11,13,2,9,20,24,22/rA:24nCOCCCCCCOCNCOCCCCCCOBrSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s12;w14;s15;d16;s17;d18;s16s19;s19;s14;s11s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12BrNO4S2
All Atoms:36
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:8.3062
Area:548.548
Solvation:-5.40749
Coulombic:-37.9116
Bond Count [?]
All:26
Single:18
Double:8
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.73
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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