Chemical ID: 7142029

CC(=O)c1cccc(c1)N2C(=O)C(=Cc3ccc(o3)Br)SC2=S
Chemical ID:
7142029
Name [?]:
3-(3-acetylphenyl)-5-[(5-bromo-2-furyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CC(=O)c1cccc(c1)N2C(=O)C(=Cc3ccc(o3)Br)SC2=S
InChi [?]:
InChI=1/C16H10BrNO3S2/c1-9(19)10-3-2-4-11(7-10)18-15(20)13(23-16(18)22)8-12-5-6-14(17)21-12/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,16,17,9,14,2,4,8,15,13,18,11,22,20,10,3,12,19,23,21/rA:23nCCOCCCCCCNCOCCCCCCOBrSCS/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s18;s13;s10s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10BrNO3S2
All Atoms:33
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:9.27511
Area:537.552
Solvation:-4.1637
Coulombic:-31.3481
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.74
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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