ChemDB: Chemical Search
Download
Chemical ID: 5916112
Chemical ID:
5916112
Name [?]:
N-[[benzyl-[(5-methyl-2-thienyl)methyl]carbamoyl]methyl]-N-cyclopropyl-hexanamide
SMILES [?]:
CCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc2ccc(s2)C)C3CC3
InChi [?]:
InChI=1/C24H32N2O2S/c1-3-4-6-11-23(27)26(21-13-14-21)18-24(28)25(16-20-9-7-5-8-10-20)17-22-15-12-19(2)29-22/h5,7-10,12,15,21H,3-4,6,11,13-14,16-18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,3,17,4,16,18,15,19,5,23,28,29,22,13,20,9,24,14,27,21,6,10,12,8,7,11,25/E:(7,8)(9,10)(13,14)/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;s24;s8;s27;s27s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H32N2O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.6487 |
Area: | 662.613 |
Solvation: | -3.91665 |
Coulombic: | -34.7414 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 412.589 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.0 |
LogP (Chemaxon): | 3.81 |
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 |
---|