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Chemical ID: 6120891

Cc1ccccc1N2C(=O)C(=Cc3ccc(c(c3)OC)OCc4ccc(cc4)Cl)SC2=S

Chemical ID:

6120891

Name [?]:

5-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-phenyl]methylene]-3-(o-tolyl)-2-thioxo-thiazolidin-4-one

SMILES [?]:

Cc1ccccc1N2C(=O)C(=Cc3ccc(c(c3)OC)OCc4ccc(cc4)Cl)SC2=S

InChi [?]:

InChI=1/C25H20ClNO3S2/c1-16-5-3-4-6-20(16)27-24(28)23(32-25(27)31)14-18-9-12-21(22(13-18)29-2)30-15-17-7-10-19(26)11-8-17/h3-14H,15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,20,4,5,3,6,24,28,14,25,27,15,18,12,22,2,23,13,26,7,16,17,11,9,31,29,8,10,19,21,32,30/E:(7,8)(10,11)/rA:32nCCCCCCCNCOCCCCCCCCOCOCCCCCCCClSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s22;s23;d24;s25;d26;d23s27;s26;s11;s8s30;d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₀ClNO₃S₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.3005
Area:	706.072
Solvation:	-5.35132
Coulombic:	-35.7839

Bond Count [?]

All:	35
Single:	23
Double:	12
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	482.016
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	5.51
LogP (Chemaxon):	6.74

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

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Chemical Mix	Source	External ID	Descriptor	Value