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Chemical ID: 7142997

CCOc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3cc(ccc3C)C(=O)O

Chemical ID:

7142997

Name [?]:

3-[5-[(4-ethoxy-3-methoxy-phenyl)methylene]-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid

SMILES [?]:

CCOc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3cc(ccc3C)C(=O)O

InChi [?]:

InChI=1/C21H20N2O5S/c1-4-28-16-8-6-13(9-17(16)27-3)10-18-19(24)23-21(29-18)22-15-11-14(20(25)26)7-5-12(15)2/h5-11H,4H2,1-3H3,(H,25,26)(H,22,23,24)

InChi Info:

AuxInfo=1/1/N:1,26,11,2,24,6,23,5,8,12,21,25,7,22,20,4,9,13,14,27,17,19,16,15,28,29,10,3,18/E:(25,26)/rA:29nCCOCCCCCCOCCCCONCSNCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;d16;s13s17;s17;s19;s20;d21;s22;d23;d20s24;s25;s22;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₀N₂O₅S
All Atoms:	49
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	9.41978
Area:	630.633
Solvation:	-6.34606
Coulombic:	-70.0361

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:	3.18
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value