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Chemical ID: 6156386
Chemical ID:
6156386
Name [?]:
N-[4-[[2,4-dioxo-3-(p-tolylmethyl)thiazolidin-5-ylidene]methyl]phenyl]acetamide
SMILES [?]:
Cc1ccc(cc1)CN2C(=O)C(=Cc3ccc(cc3)NC(=O)C)SC2=O
InChi [?]:
InChI=1/C20H18N2O3S/c1-13-3-5-16(6-4-13)12-22-19(24)18(26-20(22)25)11-15-7-9-17(10-8-15)21-14(2)23/h3-11H,12H2,1-2H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,23,3,7,4,6,15,19,16,18,13,8,2,21,14,5,17,12,10,25,20,9,22,11,26,24/E:(3,4)(5,6)(7,8)(9,10)/rA:26nCCCCCCCCNCOCCCCCCCCNCOCSCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s12;s9s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5737 |
Area: | 566.107 |
Solvation: | -3.57894 |
Coulombic: | -48.5005 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 366.435 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.98 |
LogP (Chemaxon): | 3.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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