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Chemical ID: 5940657
Chemical ID:
5940657
Name [?]:
N-butyl-2-[[butyl-(4-tert-butylbenzoyl)-amino]methyl]thiazole-4-carboxamide
SMILES [?]:
CCCCNC(=O)c1csc(n1)CN(CCCC)C(=O)c2ccc(cc2)C(C)(C)C
InChi [?]:
InChI=1/C24H35N3O2S/c1-6-8-14-25-22(28)20-17-30-21(26-20)16-27(15-9-7-2)23(29)18-10-12-19(13-11-18)24(3,4)5/h10-13,17H,6-9,14-16H2,1-5H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,18,28,29,30,2,17,3,16,22,26,23,25,4,15,13,9,21,24,8,11,6,19,27,5,12,14,7,20,10/E:(3,4,5)(10,11)(12,13)/rA:30nCCCCNCOCCSCNCNCCCCCOCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;d8;s9;s10;s8d11;s11;s13;s14;s15;s16;s17;s14;d19;s19;s21;d22;s23;d24;d21s25;s24;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H35N3O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.3295 |
Area: | 716.011 |
Solvation: | -2.57073 |
Coulombic: | -49.3054 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 429.62 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.73 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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