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Chemical ID: 7142981
Chemical ID:
7142981
Name [?]:
4-methyl-3-[4-oxo-5-[[3-(p-tolylmethoxy)phenyl]methylene]thiazol-2-yl]amino-benzoic acid
SMILES [?]:
Cc1ccc(cc1)COc2cccc(c2)C=C3C(=O)N=C(S3)Nc4cc(ccc4C)C(=O)O
InChi [?]:
InChI=1/C26H22N2O4S/c1-16-6-9-18(10-7-16)15-32-21-5-3-4-19(12-21)13-23-24(29)28-26(33-23)27-22-14-20(25(30)31)11-8-17(22)2/h3-14H,15H2,1-2H3,(H,30,31)(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,30,12,13,11,3,7,28,4,6,27,15,16,25,8,2,29,5,14,26,10,24,17,18,31,21,23,20,19,32,33,9,22/E:(6,7)(9,10)(30,31)/rA:33nCCCCCCCCOCCCCCCCCCONCSNCCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s14;w16;s17;d18;s18;d20;s17s21;s21;s23;s24;d25;s26;d27;d24s28;s29;s26;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H22N2O4S |
All Atoms: | 55 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.018 |
Area: | 700.396 |
Solvation: | -4.4919 |
Coulombic: | -65.6469 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.26 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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