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Chemical ID: 7142237
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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Experimental Annotations
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Descriptor Annotations
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