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Chemical ID: 6519793

COc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(cc3)OCC(=O)O)S2

Chemical ID:

6519793

Name [?]:

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

SMILES [?]:

COc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(cc3)OCC(=O)O)S2

InChi [?]:

InChI=1/C19H16N2O5S/c1-25-14-8-4-13(5-9-14)20-19-21-18(24)16(27-19)10-12-2-6-15(7-3-12)26-11-17(22)23/h2-10H,11H2,1H3,(H,22,23)(H,20,21,24)

InChi Info:

AuxInfo=1/1/N:1,17,21,5,7,18,20,4,8,15,23,16,6,3,19,14,24,12,10,9,11,25,26,13,2,22,27/E:(2,3)(4,5)(6,7)(8,9)(22,23)/rA:27nCOCCCCCCNCNCOCCCCCCCCOCCOOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;d24;s24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₆N₂O₅S
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	8.9392
Area:	599.89
Solvation:	-6.05805
Coulombic:	-69.6567

Bond Count [?]

All:	29
Single:	19
Double:	10
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	384.407
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	2.57
LogP (Chemaxon):	3.24

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