ChemDB: Chemical Search
Download
Chemical ID: 5916589
Chemical ID:
5916589
Name [?]:
N-[[benzyl-[(3-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-cyclohexyl-hexanamide
SMILES [?]:
CCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc2c(ccs2)C)C3CCCCC3
InChi [?]:
InChI=1/C27H38N2O2S/c1-3-4-7-16-26(30)29(24-14-10-6-11-15-24)21-27(31)28(19-23-12-8-5-9-13-23)20-25-22(2)17-18-32-25/h5,8-9,12-13,17-18,24H,3-4,6-7,10-11,14-16,19-21H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,3,17,30,4,16,18,29,31,15,19,28,32,5,23,24,13,20,9,22,14,27,21,6,10,12,8,7,11,25/E:(8,9)(10,11)(12,13)(14,15)/rA:32nCCCCCCONCCONCCCCCCCCCCCCSCCCCCCC/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;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H38N2O2S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.8169 |
Area: | 690.95 |
Solvation: | -3.45684 |
Coulombic: | -35.815 |
Bond Count [?]
All: | 34 |
Single: | 27 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 454.669 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.58 |
LogP (Chemaxon): | 5.47 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|