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Chemical ID: 6468648

CCN=C1N(C(=O)C(=Cc2ccc(cc2)OCCOc3ccc(cc3)C)S1)CC

Chemical ID:

6468648

Name [?]:

3-ethyl-2-ethylimino-5-[[4-[2-(4-methylphenoxy)ethoxy]phenyl]methylene]thiazolidin-4-one

SMILES [?]:

CCN=C1N(C(=O)C(=Cc2ccc(cc2)OCCOc3ccc(cc3)C)S1)CC

InChi [?]:

InChI=1/C23H26N2O3S/c1-4-24-23-25(5-2)22(26)21(29-23)16-18-8-12-20(13-9-18)28-15-14-27-19-10-6-17(3)7-11-19/h6-13,16H,4-5,14-15H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,29,26,2,28,22,24,11,15,21,25,12,14,18,17,9,23,10,20,13,8,6,4,3,5,7,19,16,27/E:(6,7)(8,9)(10,11)(12,13)/rA:29nCCNCNCOCCCCCCCCOCCOCCCCCCCSCC/rB:s1;s2;w3;s4;s5;d6;s6;w8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s23;s4s8;s5;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₆N₂O₃S
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1524
Area:	658.58
Solvation:	-5.31206
Coulombic:	-39.7859

Bond Count [?]

All:	31
Single:	22
Double:	9
Rotors:	8
Chiral:	2
Rigid Segments:	7

Chemical Properties

Molecular Weight:	410.53
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	4.44
LogP (Chemaxon):	5.01

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