Chemical ID: 6464782

Cc1ccccc1C=C2C(=O)N(C(=Nc3ccc(cc3)C(=O)OC)S2)C
Chemical ID:
6464782
Name [?]:
methyl 4-[3-methyl-5-(o-tolylmethylene)-4-oxo-thiazolidin-2-ylidene]aminobenzoate
SMILES [?]:
Cc1ccccc1C=C2C(=O)N(C(=Nc3ccc(cc3)C(=O)OC)S2)C
InChi [?]:
InChI=1/C20H18N2O3S/c1-13-6-4-5-7-15(13)12-17-18(23)22(2)20(26-17)21-16-10-8-14(9-11-16)19(24)25-3/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,26,24,4,5,3,6,17,19,16,20,8,2,18,7,15,9,10,21,13,14,12,11,22,23,25/E:(8,9)(10,11)/rA:26nCCCCCCCCCCONCNCCCCCCCOOCSC/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s9s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.2401
Area:565.648
Solvation:-2.90108
Coulombic:-45.1889
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:366.435
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.61
LogP (Chemaxon):4.61

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Descriptor Annotations

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