ChemDB: Chemical Search
Download
Chemical ID: 6019612
Chemical ID:
6019612
Name [?]:
2-cyclopropylamino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2-thienylmethyl)acetamide
SMILES [?]:
COc1ccc(cc1OC)CCN(Cc2cccs2)C(=O)CNC3CC3
InChi [?]:
InChI=1/C20H26N2O3S/c1-24-18-8-5-15(12-19(18)25-2)9-10-22(14-17-4-3-11-26-17)20(23)13-21-16-6-7-16/h3-5,8,11-12,16,21H,6-7,9-10,13-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,17,16,5,25,26,4,11,12,18,7,22,14,6,24,15,3,8,20,23,13,21,2,9,19/E:(6,7)/rA:26nCOCCCCCCOCCCNCCCCCSCOCNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;d15;s16;d17;s15s18;s13;d20;s20;s22;s23;s24;s24s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H26N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18454 |
Area: | 626.767 |
Solvation: | -6.48464 |
Coulombic: | -39.781 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 374.498 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.88 |
LogP (Chemaxon): | 2.08 |
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 |
---|