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Chemical ID: 7143284
Chemical ID:
7143284
Name [?]:
2-[4-oxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazol-2-yl]aminobenzoic acid
SMILES [?]:
COc1cc(cc(c1OC)OC)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C20H18N2O6S/c1-26-14-8-11(9-15(27-2)17(14)28-3)10-16-18(23)22-20(29-16)21-13-7-5-4-6-12(13)19(24)25/h4-10H,1-3H3,(H,24,25)(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,12,10,24,23,25,22,4,6,13,5,26,21,3,7,14,8,15,27,18,20,17,16,28,29,2,11,9,19/E:(1,2)(8,9)(14,15)(24,25)(26,27)/rA:29nCOCCCCCCOCOCCCCONCSNCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;d15;s15;d17;s14s18;s18;s20;s21;d22;s23;d24;d21s25;s26;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O6S |
All Atoms: | 47 |
Heavy Atoms: | 29 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.29652 |
Area: | 610.474 |
Solvation: | -6.96534 |
Coulombic: | -78.1123 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.96 |
LogP (Chemaxon): | None |
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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