Chemical ID: 5940707

CCCCCC(=O)N(CCC)Cc1nc(cs1)C(=O)NCCC
Chemical ID:
5940707
Name [?]:
2-[(hexanoyl-propyl-amino)methyl]-N-propyl-thiazole-4-carboxamide
SMILES [?]:
CCCCCC(=O)N(CCC)Cc1nc(cs1)C(=O)NCCC
InChi [?]:
InChI=1/C17H29N3O2S/c1-4-7-8-9-16(21)20(11-6-3)12-15-19-14(13-23-15)17(22)18-10-5-2/h13H,4-12H2,1-3H3,(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,23,11,2,22,10,3,4,5,21,9,12,16,15,13,6,18,20,14,8,7,19,17/rA:23nCCCCCCONCCCCCNCCSCONCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s8;s12;d13;s14;d15;s13s16;s15;d18;s18;s20;s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29N3O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:12.7389
Area:613.482
Solvation:-2.59818
Coulombic:-45.6742
Bond Count [?]
All:23
Single:19
Double:4
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:339.497
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.02
LogP (Chemaxon):2.59

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Descriptor Annotations

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