ChemDB: Chemical Search
Download
Chemical ID: 6019646
Chemical ID:
6019646
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(CCc2ccc(c(c2)OC)OC)C(=O)CNCCOC
InChi [?]:
InChI=1/C21H30N2O4S/c1-16-8-12-28-20(16)15-23(21(24)14-22-9-11-25-2)10-7-17-5-6-18(26-3)19(13-17)27-4/h5-6,8,12-13,22H,7,9-11,14-15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,28,20,18,12,13,10,3,25,9,26,4,16,23,7,2,11,14,15,6,21,24,8,22,27,19,17,5/rA:28nCCCCSCCNCCCCCCCCOCOCCOCNCCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;d21;s21;s23;s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H30N2O4S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.86382 |
Area: | 655.685 |
Solvation: | -8.52831 |
Coulombic: | -46.5363 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 406.54 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.29 |
LogP (Chemaxon): | 1.98 |
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 |
---|