ChemDB: Chemical Search
Download
Chemical ID: 6560863
Chemical ID:
6560863
Name [?]:
(3-chlorophenyl)carbamoylmethyl 3-(4-methoxyphenyl)prop-2-enoate
SMILES [?]:
COc1ccc(cc1)C=CC(=O)OCC(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C18H16ClNO4/c1-23-16-8-5-13(6-9-16)7-10-18(22)24-12-17(21)20-15-4-2-3-14(19)11-15/h2-11H,12H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,5,7,9,4,8,10,23,14,6,22,18,3,15,11,24,17,16,12,2,13/E:(5,6)(8,9)/rA:24nCOCCCCCCCCCOOCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H16ClNO4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.12458 |
Area: | 560.396 |
Solvation: | -4.88531 |
Coulombic: | -48.2757 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 345.777 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.53 |
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 |
---|