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Chemical ID: 7140553

CCN(CC)c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)c4cc(ccc4Cl)Cl)S2

Chemical ID:

7140553

Name [?]:

5-[[5-(2,5-dichlorophenyl)-2-furyl]methylene]-2-(4-diethylaminophenyl)imino-thiazolidin-4-one

SMILES [?]:

CCN(CC)c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(o3)c4cc(ccc4Cl)Cl)S2

InChi [?]:

InChI=1/C24H21Cl2N3O2S/c1-3-29(4-2)17-8-6-16(7-9-17)27-24-28-23(30)22(32-24)14-18-10-12-21(31-18)19-13-15(25)5-11-20(19)26/h5-14H,3-4H2,1-2H3,(H,27,28,30)

InChi Info:

AuxInfo=1/1/N:1,5,2,4,27,8,10,7,11,20,28,21,25,18,26,9,6,19,24,29,22,17,15,13,31,30,12,14,3,16,23,32/E:(1,2)(3,4)(6,7)(8,9)/rA:32nCCNCCCCCCCCNCNCOCCCCCCOCCCCCCClClS/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;w17;s18;d19;s20;d21;s19s22;s22;s24;d25;s26;d27;d24s28;s29;s26;s13s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁Cl₂N₃O₂S
All Atoms:	53
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	13.5385
Area:	698.867
Solvation:	-3.93316
Coulombic:	-41.1024

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	6
Chiral:	2
Rigid Segments:	6

Chemical Properties

Molecular Weight:	486.414
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.04
LogP (Chemaxon):	6.73

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

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

Chemical Mix	Source	External ID	Descriptor	Value