Chemical ID: 6464787

Cc1ccc(cc1C)N=C2N(C(=O)C(=Cc3ccc(cc3)C(=O)O)S2)C
Chemical ID:
6464787
Name [?]:
4-[[2-(3,4-dimethylphenyl)imino-3-methyl-4-oxo-thiazolidin-5-ylidene]methyl]benzoic acid
SMILES [?]:
Cc1ccc(cc1C)N=C2N(C(=O)C(=Cc3ccc(cc3)C(=O)O)S2)C
InChi [?]:
InChI=1/C20H18N2O3S/c1-12-4-9-16(10-13(12)2)21-20-22(3)18(23)17(26-20)11-14-5-7-15(8-6-14)19(24)25/h4-11H,1-3H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,8,26,3,17,21,18,20,4,6,15,2,7,16,19,5,14,12,22,10,9,11,13,23,24,25/E:(5,6)(7,8)(24,25)/rA:26nCCCCCCCCNCNCOCCCCCCCCCOOSC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s10s14;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.4209
Area:562.858
Solvation:-2.65058
Coulombic:-53.0847
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:366.435
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.72
LogP (Chemaxon):4.27

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