Chemical ID: 7142234

CCc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)Br)SC2=S
Chemical ID:
7142234
Name [?]:
5-[(4-bromophenyl)methylene]-3-(4-ethylphenyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)Br)SC2=S
InChi [?]:
InChI=1/C18H14BrNOS2/c1-2-12-5-9-15(10-6-12)20-17(21)16(23-18(20)22)11-13-3-7-14(19)8-4-13/h3-11H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,19,4,8,16,18,5,7,13,3,14,17,6,12,10,22,20,9,11,23,21/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCCCCCCCCNCOCCCCCCCCBrSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s12;s9s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14BrNOS2
All Atoms:37
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:12.2758
Area:550.548
Solvation:-1.48788
Coulombic:-21.3856
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:5.09
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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