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Chemical ID: 7143223
Chemical ID:
7143223
Name [?]:
3-[5-[(4-methoxycarbonylphenyl)methylene]-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc(cc3)C(=O)OC)S2)C(=O)O
InChi [?]:
InChI=1/C20H16N2O5S/c1-11-3-6-14(18(24)25)10-15(11)21-20-22-17(23)16(28-20)9-12-4-7-13(8-5-12)19(26)27-2/h3-10H,1-2H3,(H,24,25)(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,3,16,20,4,17,19,14,6,2,15,18,5,7,13,11,26,21,9,8,10,12,27,28,22,23,25/E:(4,5)(7,8)(24,25)/rA:28nCCCCCCCNCNCOCCCCCCCCCOOCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s9s13;s5;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N2O5S |
All Atoms: | 44 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.4022 |
Area: | 608.875 |
Solvation: | -3.81971 |
Coulombic: | -76.4487 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.13 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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