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Chemical ID: 7141725

CCCCc1ccc(cc1)N2C(=O)C(=Cc3cccc(c3)OCc4ccc(cc4)Cl)SC2=S

Chemical ID:

7141725

Name [?]:

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

SMILES [?]:

CCCCc1ccc(cc1)N2C(=O)C(=Cc3cccc(c3)OCc4ccc(cc4)Cl)SC2=S

InChi [?]:

InChI=1/C27H24ClNO2S2/c1-2-3-5-19-10-14-23(15-11-19)29-26(30)25(33-27(29)32)17-21-6-4-7-24(16-21)31-18-20-8-12-22(28)13-9-20/h4,6-17H,2-3,5,18H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,3,18,4,17,19,25,29,6,10,26,28,7,9,21,15,23,5,24,16,27,8,20,14,12,32,30,11,13,22,33,31/E:(8,9)(10,11)(12,13)(14,15)/rA:33nCCCCCCCCCCNCOCCCCCCCCOCCCCCCCClSCS/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;s24;d25;s26;d27;d24s28;s27;s14;s11s31;d32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₄ClNO₂S₂
All Atoms:	57
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	15.7912
Area:	759.026
Solvation:	-3.18443
Coulombic:	-30.6727

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.68
LogP (Chemaxon):	None

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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