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Chemical ID: 6468746

CCN1C(=O)C(=Cc2ccc(c(c2)OC)OCc3ccc(cc3)C)SC1=Nc4ccc(cc4)OC

Chemical ID:

6468746

Name [?]:

3-ethyl-2-(4-methoxyphenyl)imino-5-[[3-methoxy-4-(p-tolylmethoxy)phenyl]methylene]thiazolidin-4-one

SMILES [?]:

CCN1C(=O)C(=Cc2ccc(c(c2)OC)OCc3ccc(cc3)C)SC1=Nc4ccc(cc4)OC

InChi [?]:

InChI=1/C28H28N2O4S/c1-5-30-27(31)26(35-28(30)29-22-11-13-23(32-3)14-12-22)17-21-10-15-24(25(16-21)33-4)34-18-20-8-6-19(2)7-9-20/h6-17H,5,18H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,24,35,15,2,20,22,19,23,9,29,33,30,32,10,13,7,17,21,18,8,28,31,11,12,6,4,26,27,3,5,34,14,16,25/E:(6,7)(8,9)(11,12)(13,14)/rA:35nCCNCOCCCCCCCCOCOCCCCCCCCSCNCCCCCCOC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11;s16;s17;s18;d19;s20;d21;d18s22;s21;s6;s3s25;w26;s27;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₈N₂O₄S
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2081
Area:	728.4
Solvation:	-7.00188
Coulombic:	-47.1949

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	8
Chiral:	2
Rigid Segments:	8

Chemical Properties

Molecular Weight:	488.599
H-Bond Donors:	0
H-Bond Acceptors:	6
XLogP:	5.28
LogP (Chemaxon):	6.43

Name Annotations

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

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