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Chemical ID: 7316989
Chemical ID:
7316989
Name [?]:
N-[2-(5-benzylidene-2,4-dioxo-thiazolidin-3-yl)ethyl]-2-(2,6-dimethylphenoxy)-acetamide
SMILES [?]:
Cc1cccc(c1OCC(=O)NCCN2C(=O)C(=Cc3ccccc3)SC2=O)C
InChi [?]:
InChI=1/C22H22N2O4S/c1-15-7-6-8-16(2)20(15)28-14-19(25)23-11-12-24-21(26)18(29-22(24)27)13-17-9-4-3-5-10-17/h3-10,13H,11-12,14H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,29,23,22,24,4,3,5,21,25,13,14,19,9,2,6,20,18,10,7,16,27,12,15,11,17,28,8,26/E:(1,2)(4,5)(7,8)(9,10)(15,16)/rA:29nCCCCCCCOCCONCCNCOCCCCCCCCSCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;s14;s15;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;s18;s15s26;d27;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22N2O4S |
All Atoms: | 51 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2666 |
Area: | 652.753 |
Solvation: | -5.05217 |
Coulombic: | -58.3232 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 410.487 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.93 |
LogP (Chemaxon): | 3.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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