Chemical ID: 3988588

CCCC(c1nc(cs1)C(=O)NC23CC4CC(C2)CC(C4)C3)N
Chemical ID:
3988588
Name [?]:
N-(1-adamantyl)-2-(1-aminobutyl)thiazole-4-carboxamide
SMILES [?]:
CCCC(c1nc(cs1)C(=O)NC23CC4CC(C2)CC(C4)C3)N
InChi [?]:
InChI=1/C18H27N3OS/c1-2-3-14(19)17-20-15(10-23-17)16(22)21-18-7-11-4-12(8-18)6-13(5-11)9-18/h10-14H,2-9,19H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,3,16,19,21,18,14,22,8,17,15,20,4,7,10,5,13,23,6,12,11,9/E:(4,5,6)(7,8,9)(11,12,13)/rA:23cCCCCCNCCSCONCCCCCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s7;d10;s10;s12;s13;s14;s15;s16;s13s17;s17;s19;s15s20;s13s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H27N3OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:11.8413
Area:527.545
Solvation:-1.34736
Coulombic:-42.5361
Bond Count [?]
All:26
Single:23
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:333.493
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.41
LogP (Chemaxon):2.19

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Descriptor Annotations

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