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Chemical ID: 3988631
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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