Chemical ID: 6473530

Cc1cccc(c1Cl)NC2=NC(=O)C(=Cc3ccc(cc3)C(=O)OC)S2
Chemical ID:
6473530
Name [?]:
methyl 4-[[2-(2-chloro-3-methyl-phenyl)amino-4-oxo-thiazol-5-ylidene]methyl]benzoate
SMILES [?]:
Cc1cccc(c1Cl)NC2=NC(=O)C(=Cc3ccc(cc3)C(=O)OC)S2
InChi [?]:
InChI=1/C19H15ClN2O3S/c1-11-4-3-5-14(16(11)20)21-19-22-17(23)15(26-19)10-12-6-8-13(9-7-12)18(24)25-2/h3-10H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,4,3,5,17,21,18,20,15,2,16,19,6,14,7,12,22,10,8,9,11,13,23,24,26/E:(6,7)(8,9)/rA:26nCCCCCCCClNCNCOCCCCCCCCCOOCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;d22;s22;s24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15ClN2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.1995
Area:591.535
Solvation:-2.5889
Coulombic:-50.7879
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:386.853
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.14
LogP (Chemaxon):4.74

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