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Chemical ID: 5409613

Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3ccc(cc3)N4CCCCC4

Chemical ID:

5409613

Name [?]:

N-[4-(1-piperidyl)phenyl]-2-[4-(p-tolyl)thiazol-2-yl]sulfanyl-acetamide

SMILES [?]:

Cc1ccc(cc1)c2csc(n2)SCC(=O)Nc3ccc(cc3)N4CCCCC4

InChi [?]:

InChI=1/C23H25N3OS2/c1-17-5-7-18(8-6-17)21-15-28-23(25-21)29-16-22(27)24-19-9-11-20(12-10-19)26-13-3-2-4-14-26/h5-12,15H,2-4,13-14,16H2,1H3,(H,24,27)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,3,7,4,6,19,23,20,22,25,29,9,14,2,5,18,21,8,15,11,17,12,24,16,10,13/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:29nCCCCCCCCCSCNSCCONCCCCCCNCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s26;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₅N₃OS₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	13.0264
Area:	667.985
Solvation:	-3.67319
Coulombic:	-33.7196

Bond Count [?]

All:	32
Single:	23
Double:	9
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	423.596
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.22
LogP (Chemaxon):	6.26

Name Annotations

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

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