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Chemical ID: 5940636
Chemical ID:
5940636
Name [?]:
N-butyl-2-[(butyl-(4-chlorobutanoyl)amino)methyl]thiazole-4-carboxamide
SMILES [?]:
CCCCNC(=O)c1csc(n1)CN(CCCC)C(=O)CCCCl
InChi [?]:
InChI=1/C17H28ClN3O2S/c1-3-5-10-19-17(23)14-13-24-15(20-14)12-21(11-6-4-2)16(22)8-7-9-18/h13H,3-12H2,1-2H3,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,18,2,17,3,16,22,21,23,4,15,13,9,8,11,19,6,24,5,12,14,20,7,10/rA:24nCCCCNCOCCSCNCNCCCCCOCCCCl/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;s8d11;s11;s13;s14;s15;s16;s17;s14;d19;s19;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H28ClN3O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.149 |
Area: | 655.753 |
Solvation: | -3.24484 |
Coulombic: | -45.2733 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 373.942 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.15 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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