Chemical ID: 7209880

c1cc(cc(c1)N=C2NC(=O)C(=Cc3ccc(o3)c4cc(ccc4Cl)Cl)S2)C(=O)[O-]
Chemical ID:
7209880
Name [?]:
3-[5-[[5-(2,5-dichlorophenyl)-2-furyl]methylene]-4-oxo-thiazolidin-2-ylidene]aminobenzoate
SMILES [?]:
c1cc(cc(c1)N=C2NC(=O)C(=Cc3ccc(o3)c4cc(ccc4Cl)Cl)S2)C(=O)[O-]
InChi [?]:
InChI=1/C21H12Cl2N2O4S/c22-12-4-6-16(23)15(9-12)17-7-5-14(29-17)10-18-19(26)25-21(30-18)24-13-3-1-2-11(8-13)20(27)28/h1-10H,(H,27,28)(H,24,25,26)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,22,15,23,16,4,20,13,3,21,5,14,19,24,17,12,10,28,8,26,25,7,9,11,29,30,18,27/E:(27,28)/rA:30nCCCCCCNCNCOCCCCCCOCCCCCCClClSCOO-/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s24;s21;s8s12;s3;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H11Cl2N2O4S-
All Atoms:41
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:-28.4906
Area:659.047
Solvation:-44.9667
Coulombic:-36.9474
Bond Count [?]
All:33
Single:21
Double:12
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:458.295
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.12
LogP (Chemaxon):5.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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