Chemical ID: 5940657

CCCCNC(=O)c1csc(n1)CN(CCCC)C(=O)c2ccc(cc2)C(C)(C)C
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

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Descriptor Annotations

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