Chemical ID: 5940955

CCCCCCc1ccc(cc1)C(=O)N(Cc2nc(cs2)C(=O)NC(C)C)C(C)C
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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Descriptor Annotations

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