ChemDB: Chemical Search
Download
Chemical ID: 6019678
Chemical ID:
6019678
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methyl-2-thienyl)methyl]-2-propylamino-acetamide
SMILES [?]:
CCCNCC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2ccc(s2)C
InChi [?]:
InChI=1/C21H30N2O3S/c1-5-11-22-14-21(24)23(15-18-8-6-16(2)27-18)12-10-17-7-9-19(25-3)20(13-17)26-4/h6-9,13,22H,5,10-12,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,27,20,18,2,24,12,23,13,10,3,9,16,5,21,25,11,22,14,15,6,4,8,7,19,17,26/rA:27nCCCNCCONCCCCCCCCOCOCCCCCCSC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;s21;d22;s23;d24;s22s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H30N2O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1896 |
Area: | 659.408 |
Solvation: | -6.29559 |
Coulombic: | -40.4388 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 390.541 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.97 |
LogP (Chemaxon): | 2.49 |
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 |
---|