Chemical ID: 7142237

CC(=O)c1cccc(c1)N2C(=O)C(=Cc3ccc(cc3)Br)SC2=S
Chemical ID:
7142237
Name [?]:
3-(3-acetylphenyl)-5-[(4-bromophenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CC(=O)c1cccc(c1)N2C(=O)C(=Cc3ccc(cc3)Br)SC2=S
InChi [?]:
InChI=1/C18H12BrNO2S2/c1-11(21)13-3-2-4-15(10-13)20-17(22)16(24-18(20)23)9-12-5-7-14(19)8-6-12/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,16,20,17,19,14,9,2,15,4,18,8,13,11,23,21,10,3,12,24,22/E:(5,6)(7,8)/rA:24nCCOCCCCCCNCOCCCCCCCCBrSCS/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s8;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s13;s10s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12BrNO2S2
All Atoms:36
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:11.3093
Area:561.287
Solvation:-2.72286
Coulombic:-27.5176
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.03
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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