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Chemical ID: 5940631
Chemical ID:
5940631
Name [?]:
N-butyl-2-[(butyl-(2,2-dimethylpropanoyl)amino)methyl]thiazole-4-carboxamide
SMILES [?]:
CCCCNC(=O)c1csc(n1)CN(CCCC)C(=O)C(C)(C)C
InChi [?]:
InChI=1/C18H31N3O2S/c1-6-8-10-19-16(22)14-13-24-15(20-14)12-21(11-9-7-2)17(23)18(3,4)5/h13H,6-12H2,1-5H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,18,22,23,24,2,17,3,16,4,15,13,9,8,11,6,19,21,5,12,14,7,20,10/E:(3,4,5)/rA:24nCCCCNCOCCSCNCNCCCCCOCCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;s8d11;s11;s13;s14;s15;s16;s17;s14;d19;s19;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H31N3O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6071 |
Area: | 606.648 |
Solvation: | -2.55913 |
Coulombic: | -46.405 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 353.524 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.94 |
LogP (Chemaxon): | 3.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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