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Chemical ID: 5512026
Chemical ID:
5512026
Name [?]:
3-acetyl-N-benzyl-2-(p-tolyl)thiazolidine-4-carboxamide
SMILES [?]:
Cc1ccc(cc1)C2N(C(CS2)C(=O)NCc3ccccc3)C(=O)C
InChi [?]:
InChI=1/C20H22N2O2S/c1-14-8-10-17(11-9-14)20-22(15(2)23)18(13-25-20)19(24)21-12-16-6-4-3-5-7-16/h3-11,18,20H,12-13H2,1-2H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,25,20,19,21,18,22,3,7,4,6,16,11,2,23,17,5,10,13,8,15,9,24,14,12/E:(4,5)(6,7)(8,9)(10,11)/rA:25cCCCCCCCCNCCSCONCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s8s11;s10;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s9;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.2941 |
Area: | 563.33 |
Solvation: | -3.78911 |
Coulombic: | -39.5689 |
Bond Count [?]
All: | 27 |
Single: | 19 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 354.467 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.49 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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