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Chemical ID: 5940707
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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