Chemical ID: 3988631

c1c(nc(s1)C2CCCNC2)C(=O)N3CCCCCCC3
Chemical ID:
3988631
Name [?]:
azocan-1-yl-[2-(3-piperidyl)thiazol-4-yl]-methanone
SMILES [?]:
c1c(nc(s1)C2CCCNC2)C(=O)N3CCCCCCC3
InChi [?]:
InChI=1/C16H25N3OS/c20-16(19-9-4-2-1-3-5-10-19)14-12-21-15(18-14)13-7-6-8-17-11-13/h12-13,17H,1-11H2
InChi Info:
AuxInfo=1/0/N:18,17,19,16,20,8,7,9,15,21,11,1,6,2,4,12,10,3,14,13,5/E:(2,3)(4,5)(9,10)/rA:21cCCNCSCCCCNCCONCCCCCCC/rB:d1;s2;d3;s1s4;s4;s6;s7;s8;s9;s6s10;s2;d12;s12;s14;s15;s16;s17;s18;s19;s14s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H25N3OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:10.3219
Area:476.759
Solvation:-1.59711
Coulombic:-33.4825
Bond Count [?]
All:23
Single:20
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:307.455
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.94
LogP (Chemaxon):1.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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