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Chemical ID: 7529711

c1ccc(cc1)SCc2ccc(o2)C(=O)Nc3ncc(s3)Cc4ccccc4Cl

Chemical ID:

7529711

Name [?]:

N-[5-[(2-chlorophenyl)methyl]thiazol-2-yl]-5-(phenylsulfanylmethyl)furan-2-carboxamide

SMILES [?]:

c1ccc(cc1)SCc2ccc(o2)C(=O)Nc3ncc(s3)Cc4ccccc4Cl

InChi [?]:

InChI=1/C22H17ClN2O2S2/c23-19-9-5-4-6-15(19)12-18-13-24-22(29-18)25-21(26)20-11-10-16(27-20)14-28-17-7-2-1-3-8-17/h1-11,13H,12,14H2,(H,24,25,26)

InChi Info:

AuxInfo=1/1/N:1,2,6,25,26,24,3,5,27,10,11,22,19,8,23,9,4,20,28,12,14,17,29,18,16,15,13,7,21/E:(2,3)(7,8)/rA:29nCCCCCCSCCCCCOCONCNCCSCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;s9s12;s12;d14;s14;s16;d17;s18;d19;s17s20;s20;s22;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₇ClN₂O₂S₂
All Atoms:	46
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	13.1571
Area:	669.384
Solvation:	-3.5775
Coulombic:	-38.8192

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.46
LogP (Chemaxon):	None

Name Annotations

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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