Chemical ID: 4938815

c1ccnc(c1)C(=NNC(=S)N2CCCCC2)C(=NNC(=S)N3CCCCC3)c4ccccn4
Chemical ID:
4938815
Name [?]:
N-[2-(1-piperidylcarbothioylaminoimino)-1,2-bis(2-pyridyl)ethylidene]aminopiperidine-1-carbothioamide
SMILES [?]:
c1ccnc(c1)C(=NNC(=S)N2CCCCC2)C(=NNC(=S)N3CCCCC3)c4ccccn4
InChi [?]:
InChI=1/C24H30N8S2/c33-23(31-15-7-1-8-16-31)29-27-21(19-11-3-5-13-25-19)22(20-12-4-6-14-26-20)28-30-24(34)32-17-9-2-10-18-32/h3-6,11-14H,1-2,7-10,15-18H2,(H,29,33)(H,30,34)
InChi Info:
AuxInfo=1/1/N:15,26,1,31,2,32,14,16,25,27,6,30,3,33,13,17,24,28,5,29,7,18,10,21,4,34,8,19,9,20,12,23,11,22/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)(13,14)(15,16,17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)(31,32)(33,34)/gE:(1,2)/rA:34nCCCNCCCNNCSNCCCCCCNNCSNCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s7;w18;s19;s20;d21;s21;s23;s24;s25;s26;s23s27;s18;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H30N8S2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:14.8272
Area:721.602
Solvation:-3.21287
Coulombic:-49.0485
Bond Count [?]
All:37
Single:27
Double:10
Rotors:9
Chiral:2
Rigid Segments:8
Chemical Properties
Molecular Weight:494.681
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.88
LogP (Chemaxon):4.59

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Descriptor Annotations

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