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Chemical ID: 7142955
Chemical ID:
7142955
Name [?]:
N-[4-[4-oxo-5-[[2-(p-tolylmethoxy)phenyl]methylene]thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
Cc1ccc(cc1)COc2ccccc2C=C3C(=O)N=C(S3)Nc4ccc(cc4)NC(=O)C
InChi [?]:
InChI=1/C26H23N3O3S/c1-17-7-9-19(10-8-17)16-32-23-6-4-3-5-20(23)15-24-25(31)29-26(33-24)28-22-13-11-21(12-14-22)27-18(2)30/h3-15H,16H2,1-2H3,(H,27,30)(H,28,29,31)
InChi Info:
AuxInfo=1/1/N:1,33,13,12,14,11,3,7,4,6,26,28,25,29,16,8,2,31,5,15,27,24,10,17,18,21,30,23,20,32,19,9,22/E:(7,8)(9,10)(11,12)(13,14)/rA:33nCCCCCCCCOCCCCCCCCCONCSNCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;w16;s17;d18;s18;d20;s17s21;s21;s23;s24;d25;s26;d27;d24s28;s27;s30;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H23N3O3S |
All Atoms: | 56 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.3504 |
Area: | 720.16 |
Solvation: | -4.6536 |
Coulombic: | -57.3251 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.25 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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