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Chemical ID: 7140398

CCOc1cc(ccc1OCc2ccccc2Cl)C=C3C(=O)NC(=Nc4ccc(cc4)C)S3

Chemical ID:

7140398

Name [?]:

5-[[4-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-2-(p-tolylimino)thiazolidin-4-one

SMILES [?]:

CCOc1cc(ccc1OCc2ccccc2Cl)C=C3C(=O)NC(=Nc4ccc(cc4)C)S3

InChi [?]:

InChI=1/C26H23ClN2O3S/c1-3-31-23-14-18(10-13-22(23)32-16-19-6-4-5-7-21(19)27)15-24-25(30)29-26(33-24)28-20-11-8-17(2)9-12-20/h4-15H,3,16H2,1-2H3,(H,28,29,30)

InChi Info:

AuxInfo=1/1/N:1,32,2,14,15,13,16,28,30,7,27,31,8,5,19,11,29,6,12,26,17,9,4,20,21,24,18,25,23,22,3,10,33/E:(8,9)(11,12)/rA:33nCCOCCCCCCOCCCCCCCClCCCONCNCCCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;w19;s20;d21;s21;s23;w24;s25;s26;d27;s28;d29;d26s30;s29;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₃ClN₂O₃S
All Atoms:	56
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2979
Area:	728.955
Solvation:	-4.92602
Coulombic:	-46.1033

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	7
Chiral:	2
Rigid Segments:	6

Chemical Properties

Molecular Weight:	478.991
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.85
LogP (Chemaxon):	6.95

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