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Chemical ID: 5939919

c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)Cl)Cl)NC(=O)C4CCCCC4

Chemical ID:

5939919

Name [?]:

N-[4-[2-(3,4-dichlorophenyl)aminothiazol-4-yl]phenyl]cyclohexanecarboxamide

SMILES [?]:

c1cc(ccc1c2csc(n2)Nc3ccc(c(c3)Cl)Cl)NC(=O)C4CCCCC4

InChi [?]:

InChI=1/C22H21Cl2N3OS/c23-18-11-10-17(12-19(18)24)26-22-27-20(13-29-22)14-6-8-16(9-7-14)25-21(28)15-4-2-1-3-5-15/h6-13,15H,1-5H2,(H,25,28)(H,26,27)

InChi Info:

AuxInfo=1/1/N:27,26,28,25,29,1,5,2,4,14,15,18,8,6,24,3,13,16,17,7,22,10,20,19,21,12,11,23,9/E:(2,3)(4,5)(6,7)(8,9)/rA:29nCCCCCCCCSCNNCCCCCCClClNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;s9;s7d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s16;s3;s21;d22;s22;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₁Cl₂N₃OS
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	14.0573
Area:	665.288
Solvation:	-2.57488
Coulombic:	-40.3411

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	446.393
H-Bond Donors:	2
H-Bond Acceptors:	3
XLogP:	6.48
LogP (Chemaxon):	6.88

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