Chemical ID: 5940926

CCCCCC(=O)N(Cc1nc(cs1)C(=O)NC(C)C)C(C)C
Chemical ID:
5940926
Name [?]:
2-[(hexanoyl-isopropyl-amino)methyl]-N-isopropyl-thiazole-4-carboxamide
SMILES [?]:
CCCCCC(=O)N(Cc1nc(cs1)C(=O)NC(C)C)C(C)C
InChi [?]:
InChI=1/C17H29N3O2S/c1-6-7-8-9-16(21)20(13(4)5)10-15-19-14(11-23-15)17(22)18-12(2)3/h11-13H,6-10H2,1-5H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,19,20,22,23,2,3,4,5,9,13,18,21,12,10,6,15,17,11,8,7,16,14/E:(2,3)(4,5)/rA:23nCCCCCCONCCNCCSCONCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s11;d12;s10s13;s12;d15;s15;s17;s18;s18;s8;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29N3O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:12.054
Area:582.116
Solvation:-2.4989
Coulombic:-45.184
Bond Count [?]
All:23
Single:19
Double:4
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:339.497
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.22
LogP (Chemaxon):2.47

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Descriptor Annotations

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