Chemical ID: 7143223

Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc(cc3)C(=O)OC)S2)C(=O)O
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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