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Chemical ID: 6464618

Cc1ccc(cc1)C(=O)Oc2cc(ccc2OC)C=C3C(=O)NC(=Nc4ccc(cc4)OC)S3

Chemical ID:

6464618

Name [?]:

[2-methoxy-5-[[2-(4-methoxyphenyl)imino-4-oxo-thiazolidin-5-ylidene]methyl]phenyl] 4-methylbenzoate

SMILES [?]:

Cc1ccc(cc1)C(=O)Oc2cc(ccc2OC)C=C3C(=O)NC(=Nc4ccc(cc4)OC)S3

InChi [?]:

InChI=1/C26H22N2O5S/c1-16-4-7-18(8-5-16)25(30)33-22-14-17(6-13-21(22)32-3)15-23-24(29)28-26(34-23)27-19-9-11-20(31-2)12-10-19/h4-15H,1-3H3,(H,27,28,29)

InChi Info:

AuxInfo=1/1/N:1,33,18,3,7,14,4,6,27,31,28,30,15,12,19,2,13,5,26,29,16,11,20,21,8,24,25,23,22,9,32,17,10,34/E:(4,5)(7,8)(9,10)(11,12)/rA:34nCCCCCCCCOOCCCCCCOCCCCONCNCCCCCCOCS/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s13;w19;s20;d21;s21;s23;w24;s25;s26;d27;s28;d29;d26s30;s29;s32;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂N₂O₅S
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	12.6072
Area:	720.041
Solvation:	-5.39387
Coulombic:	-63.9806

Bond Count [?]

All:	37
Single:	24
Double:	13
Rotors:	7
Chiral:	2
Rigid Segments:	7

Chemical Properties

Molecular Weight:	474.529
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	4.59
LogP (Chemaxon):	5.54

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