ChemDB: Chemical Search
Download
Chemical ID: 7387551
Chemical ID:
7387551
Name [?]:
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methoxyphenyl)-prop-2-enamide
SMILES [?]:
COc1ccc(cc1)C=CC(=O)NCCc2c[nH]c3c2cc(cc3)Cl
InChi [?]:
InChI=1/C20H19ClN2O2/c1-25-17-6-2-14(3-7-17)4-9-20(24)22-11-10-15-13-23-19-8-5-16(21)12-18(15)19/h2-9,12-13,23H,10-11H2,1H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,5,7,9,23,4,8,24,10,15,14,21,17,6,16,22,3,20,19,11,25,13,18,12,2/E:(2,3)(6,7)/rA:25nCOCCCCCCCCCONCCCCNCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;s14;s15;d16;s17;s18;s16s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19ClN2O2 |
All Atoms: | 44 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1311 |
Area: | 602.907 |
Solvation: | -3.94162 |
Coulombic: | -41.1462 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 354.83 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.18 |
LogP (Chemaxon): | 4.23 |
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 |
---|