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Chemical ID: 5640486

COc1cc(ccc1OCc2ccc(cc2Cl)Cl)C=C3C(=O)NC(=Nc4ccccc4)S3

Chemical ID:

5640486

Name [?]:

5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-2-phenylimino-thiazolidin-4-one

SMILES [?]:

COc1cc(ccc1OCc2ccc(cc2Cl)Cl)C=C3C(=O)NC(=Nc4ccccc4)S3

InChi [?]:

InChI=1/C24H18Cl2N2O3S/c1-30-21-11-15(7-10-20(21)31-14-16-8-9-17(25)13-19(16)26)12-22-23(29)28-24(32-22)27-18-5-3-2-4-6-18/h2-13H,14H2,1H3,(H,27,28,29)

InChi Info:

AuxInfo=1/1/N:1,29,28,30,27,31,6,12,13,7,4,19,15,10,5,11,14,26,16,8,3,20,21,24,18,17,25,23,22,2,9,32/E:(3,4)(5,6)/rA:32nCOCCCCCCOCCCCCCCClClCCCONCNCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;s14;s5;w19;s20;d21;s21;s23;w24;s25;s26;d27;s28;d29;d26s30;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₈Cl₂N₂O₃S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.9056
Area:	713.079
Solvation:	-4.92135
Coulombic:	-45.9151

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	6
Chiral:	2
Rigid Segments:	6

Chemical Properties

Molecular Weight:	485.383
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.61
LogP (Chemaxon):	6.66

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

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

Chemical Mix	Source	External ID	Descriptor	Value