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Chemical ID: 4214196

CCOc1cc(ccc1OCC(=O)O)C=C2C(=O)N=C(S2)Nc3ccccc3Cl

Chemical ID:

4214196

Name [?]:

2-[4-[[2-(2-chlorophenyl)amino-4-oxo-thiazol-5-ylidene]methyl]-2-ethoxy-phenoxy]acetic acid

SMILES [?]:

CCOc1cc(ccc1OCC(=O)O)C=C2C(=O)N=C(S2)Nc3ccccc3Cl

InChi [?]:

InChI=1/C20H17ClN2O5S/c1-2-27-16-9-12(7-8-15(16)28-11-18(24)25)10-17-19(26)23-20(29-17)22-14-6-4-3-5-13(14)21/h3-10H,2,11H2,1H3,(H,24,25)(H,22,23,26)

InChi Info:

AuxInfo=1/1/N:1,2,26,25,27,24,7,8,5,15,11,6,28,23,9,4,16,12,17,20,29,22,19,13,14,18,3,10,21/E:(24,25)/rA:29nCCOCCCCCCOCCOOCCCONCSNCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;d12;s12;s6;w15;s16;d17;s17;d19;s16s20;s20;s22;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₇ClN₂O₅S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.79133
Area:	654.524
Solvation:	-6.57176
Coulombic:	-70.6256

Bond Count [?]

All:	31
Single:	21
Double:	10
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	432.878
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	3.34
LogP (Chemaxon):	4.1

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

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Chemical Mix	Source	External ID	Descriptor	Value