ChemDB: Chemical Search
Download
Chemical ID: 5918887
Chemical ID:
5918887
Name [?]:
N-benzyl-2-(butylcarbamoyl-propyl-amino)-N-[(5-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
CCCCNC(=O)N(CCC)CC(=O)N(Cc1ccccc1)Cc2ccc(s2)C
InChi [?]:
InChI=1/C23H33N3O2S/c1-4-6-14-24-23(28)25(15-5-2)18-22(27)26(16-20-10-8-7-9-11-20)17-21-13-12-19(3)29-21/h7-13H,4-6,14-18H2,1-3H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,11,29,2,10,3,20,19,21,18,22,26,25,4,9,16,23,12,27,17,24,13,6,5,8,15,14,7,28/E:(8,9)(10,11)/rA:29nCCCCNCONCCCCCONCCCCCCCCCCCCSC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s8;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s15;s23;d24;s25;d26;s24s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H33N3O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2735 |
Area: | 690.719 |
Solvation: | -3.99443 |
Coulombic: | -49.4495 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 415.593 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.27 |
LogP (Chemaxon): | 3.59 |
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 |
---|