Chemical ID: 4349965

Cc1ccccc1NC2=NC(=O)C(=Cc3ccc(cc3)C(=O)OC)S2
Chemical ID:
4349965
Name [?]:
methyl 4-[[2-(o-tolylamino)-4-oxo-thiazol-5-ylidene]methyl]benzoate
SMILES [?]:
Cc1ccccc1NC2=NC(=O)C(=Cc3ccc(cc3)C(=O)OC)S2
InChi [?]:
InChI=1/C19H16N2O3S/c1-12-5-3-4-6-15(12)20-19-21-17(22)16(25-19)11-13-7-9-14(10-8-13)18(23)24-2/h3-11H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,4,5,3,6,16,20,17,19,14,2,15,18,7,13,11,21,9,8,10,12,22,23,25/E:(7,8)(9,10)/rA:25nCCCCCCCNCNCOCCCCCCCCCOOCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1674
Area:559.238
Solvation:-2.81351
Coulombic:-50.0286
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:352.408
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.52
LogP (Chemaxon):4.22

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