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Chemical ID: 7142948
Chemical ID:
7142948
Name [?]:
3-[5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc(c(c3)OC)OC)S2)C(=O)O
InChi [?]:
InChI=1/C20H18N2O5S/c1-11-4-6-13(19(24)25)10-14(11)21-20-22-18(23)17(28-20)9-12-5-7-15(26-2)16(8-12)27-3/h4-10H,1-3H3,(H,24,25)(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,22,3,16,4,17,20,14,6,2,15,5,7,18,19,13,11,26,9,8,10,12,27,28,23,21,25/E:(24,25)/rA:28nCCCCCCCNCNCOCCCCCCCCOCOCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s9s13;s5;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2O5S |
All Atoms: | 46 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.65809 |
Area: | 604.272 |
Solvation: | -6.44871 |
Coulombic: | -69.7717 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.76 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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