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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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Experimental Annotations
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Descriptor Annotations
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