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Chemical ID: 4476453

Chemical ID:

4476453

Name [?]:

1-piperidyl-[4-(1-piperidylcarbothioyl)phenyl]-methanethione

SMILES [?]:

c1cc(ccc1C(=S)N2CCCCC2)C(=S)N3CCCCC3

InChi [?]:

InChI=1/C18H24N2S2/c21-17(19-11-3-1-4-12-19)15-7-9-16(10-8-15)18(22)20-13-5-2-6-14-20/h7-10H,1-6,11-14H2

InChi Info:

AuxInfo=1/0/N:12,20,11,13,19,21,1,5,2,4,10,14,18,22,6,3,7,15,9,17,8,16/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCCSNCCCCCCSNCCCCC/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s3;d15;s15;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₄N₂S₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	12.144
Area:	527.18
Solvation:	-1.03548
Coulombic:	-17.5162

Bond Count [?]

All:	24
Single:	19
Double:	5
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	332.529
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.71
LogP (Chemaxon):	3.25

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