Chemical ID: 7142330

Cc1ccc(cc1N2C(=O)C(=Cc3ccc(cc3)N(C)C)SC2=S)C(=O)O
Chemical ID:
7142330
Name [?]:
3-[5-[(4-dimethylaminophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1N2C(=O)C(=Cc3ccc(cc3)N(C)C)SC2=S)C(=O)O
InChi [?]:
InChI=1/C20H18N2O3S2/c1-12-4-7-14(19(24)25)11-16(12)22-18(23)17(27-20(22)26)10-13-5-8-15(9-6-13)21(2)3/h4-11H,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,20,21,3,14,18,4,15,17,12,6,2,13,5,16,7,11,9,25,23,19,8,10,26,27,24,22/E:(2,3)(5,6)(8,9)(24,25)/rA:27nCCCCCCCNCOCCCCCCCCNCCSCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;s19;s11;s8s22;d23;s5;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O3S2
All Atoms:45
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:12.1237
Area:602.481
Solvation:-2.9383
Coulombic:-52.9673
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.44
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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