Chemical ID: 6025129

CCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(C)C
Chemical ID:
6025129
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-isopropyl-hexanamide
SMILES [?]:
CCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C(C)C
InChi [?]:
InChI=1/C24H34N2O2S/c1-5-6-8-13-23(27)26(19(2)3)18-24(28)25(16-21-11-9-7-10-12-21)17-22-20(4)14-15-29-22/h7,9-12,14-15,19H,5-6,8,13,16-18H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,29,26,2,3,17,4,16,18,15,19,5,23,24,13,20,9,27,22,14,21,6,10,12,8,7,11,25/E:(2,3)(9,10)(11,12)/rA:29nCCCCCCONCCONCCCCCCCCCCCCSCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s12;s20;d21;s22;d23;s21s24;s22;s8;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H34N2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.675
Area:654.638
Solvation:-3.69098
Coulombic:-35.211
Bond Count [?]
All:30
Single:23
Double:7
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:414.605
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.64
LogP (Chemaxon):4.64

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