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Chemical ID: 5940955
Chemical ID:
5940955
Name [?]:
2-[[(4-hexylbenzoyl)-isopropyl-amino]methyl]-N-isopropyl-thiazole-4-carboxamide
SMILES [?]:
CCCCCCc1ccc(cc1)C(=O)N(Cc2nc(cs2)C(=O)NC(C)C)C(C)C
InChi [?]:
InChI=1/C24H35N3O2S/c1-6-7-8-9-10-19-11-13-20(14-12-19)24(29)27(18(4)5)15-22-26-21(16-30-22)23(28)25-17(2)3/h11-14,16-18H,6-10,15H2,1-5H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,26,27,29,30,2,3,4,5,6,8,12,9,11,16,20,25,28,7,10,19,17,22,13,24,18,15,23,14,21/E:(2,3)(4,5)(11,12)(13,14)/rA:30nCCCCCCCCCCCCCONCCNCCSCONCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;d17;s18;d19;s17s20;s19;d22;s22;s24;s25;s25;s15;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H35N3O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 15.3089 |
Area: | 707.932 |
Solvation: | -2.38943 |
Coulombic: | -49.0597 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 429.62 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.16 |
LogP (Chemaxon): | 4.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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