Chemical ID: 7142408

Cc1ccc(cc1N2C(=O)C(=CC(=Cc3ccccc3)Cl)SC2=S)C(=O)O
Chemical ID:
7142408
Name [?]:
3-[5-(2-chloro-3-phenyl-prop-2-enylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1N2C(=O)C(=CC(=Cc3ccccc3)Cl)SC2=S)C(=O)O
InChi [?]:
InChI=1/C20H14ClNO3S2/c1-12-7-8-14(19(24)25)10-16(12)22-18(23)17(27-20(22)26)11-15(21)9-13-5-3-2-4-6-13/h2-11H,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,3,4,14,6,12,2,15,5,13,7,11,9,25,23,21,8,10,26,27,24,22/E:(3,4)(5,6)(24,25)/rA:27nCCCCCCCNCOCCCCCCCCCCClSCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;w13;s14;s15;d16;s17;d18;d15s19;s13;s11;s8s22;d23;s5;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14ClNO3S2
All Atoms:41
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:12.393
Area:603.888
Solvation:-2.70419
Coulombic:-48.2555
Bond Count [?]
All:29
Single:18
Double:11
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.05
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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