Chemical ID: 5915555

CC(C)CC(=O)N(CC(=O)N(Cc1ccccc1)Cc2cccs2)C3CCCCC3
Chemical ID:
5915555
Name [?]:
N-[(benzyl-(2-thienylmethyl)carbamoyl)methyl]-N-cyclohexyl-3-methyl-butanamide
SMILES [?]:
CC(C)CC(=O)N(CC(=O)N(Cc1ccccc1)Cc2cccs2)C3CCCCC3
InChi [?]:
InChI=1/C25H34N2O2S/c1-20(2)16-24(28)27(22-12-7-4-8-13-22)19-25(29)26(18-23-14-9-15-30-23)17-21-10-5-3-6-11-21/h3,5-6,9-11,14-15,20,22H,4,7-8,12-13,16-19H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,28,15,17,27,29,22,14,18,26,30,21,23,4,12,19,8,2,13,25,20,5,9,11,7,6,10,24/E:(1,2)(5,6)(7,8)(10,11)(12,13)/rA:30nCCCCCONCCONCCCCCCCCCCCCSCCCCCC/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s11;s19;d20;s21;d22;s20s23;s7;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H34N2O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.6057
Area:640.743
Solvation:-3.41293
Coulombic:-35.6722
Bond Count [?]
All:32
Single:25
Double:7
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:426.616
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.81
LogP (Chemaxon):4.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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