Chemical ID: 3988122

c1c(nc(s1)C2CCCN2)C(=O)NC3CCCCCCC3
Chemical ID:
3988122
Name [?]:
N-cyclooctyl-2-pyrrolidin-2-yl-thiazole-4-carboxamide
SMILES [?]:
c1c(nc(s1)C2CCCN2)C(=O)NC3CCCCCCC3
InChi [?]:
InChI=1/C16H25N3OS/c20-15(18-12-7-4-2-1-3-5-8-12)14-11-21-16(19-14)13-9-6-10-17-13/h11-13,17H,1-10H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:18,17,19,16,20,8,15,21,7,9,1,14,6,2,11,4,10,13,3,12,5/E:(2,3)(4,5)(7,8)/rA:21cCCNCSCCCCNCONCCCCCCCC/rB:d1;s2;d3;s1s4;s4;s6;s7;s8;s6s9;s2;d11;s11;s13;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:11.002
Area:506.868
Solvation:-1.66965
Coulombic:-38.6676
Bond Count [?]
All:23
Single:20
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:307.455
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.04
LogP (Chemaxon):2.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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