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Chemical ID: 5417074

c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)Cl)S2)CCc4ccc(cc4)Cl

Chemical ID:

5417074

Name [?]:

3-[2-(4-chlorophenyl)ethyl]-5-[(4-chlorophenyl)methylene]-2-phenylimino-thiazolidin-4-one

SMILES [?]:

c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccc(cc3)Cl)S2)CCc4ccc(cc4)Cl

InChi [?]:

InChI=1/C24H18Cl2N2OS/c25-19-10-6-17(7-11-19)14-15-28-23(29)22(16-18-8-12-20(26)13-9-18)30-24(28)27-21-4-2-1-3-5-21/h1-13,16H,14-15H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,25,29,15,19,26,28,16,18,23,22,13,24,14,27,17,4,12,10,8,30,20,7,9,11,21/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:30nCCCCCCNCNCOCCCCCCCCClSCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s17;s8s12;s9;s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₈Cl₂N₂OS
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	13.8312
Area:	637.488
Solvation:	-2.10594
Coulombic:	-29.1624

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	5
Chiral:	2
Rigid Segments:	5

Chemical Properties

Molecular Weight:	453.384
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	6.35
LogP (Chemaxon):	7.66

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