Chemical ID: 7143222

COC(=O)c1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
Chemical ID:
7143222
Name [?]:
2-[5-[(4-methoxycarbonylphenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
COC(=O)c1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C19H14N2O5S/c1-26-18(25)12-8-6-11(7-9-12)10-15-16(22)21-19(27-15)20-14-5-3-2-4-13(14)17(23)24/h2-10H,1H3,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,20,7,9,6,10,11,8,5,24,19,12,13,25,3,16,18,15,14,26,27,4,2,17/E:(6,7)(8,9)(23,24)/rA:27nCOCOCCCCCCCCCONCSNCCCCCCCOO/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s24;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14N2O5S
All Atoms:41
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:11.594
Area:594.159
Solvation:-3.25999
Coulombic:-77.6011
Bond Count [?]
All:29
Single:18
Double:11
Rotors:6
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.55
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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