Chemical ID: 4157959

COc1ccc(cc1)C=CC(=O)OCC(=O)Nc2ccc(cc2)F
Chemical ID:
4157959
Name [?]:
(4-fluorophenyl)carbamoylmethyl 3-(4-methoxyphenyl)prop-2-enoate
SMILES [?]:
COc1ccc(cc1)C=CC(=O)OCC(=O)Nc2ccc(cc2)F
InChi [?]:
InChI=1/C18H16FNO4/c1-23-16-9-2-13(3-10-16)4-11-18(22)24-12-17(21)20-15-7-5-14(19)6-8-15/h2-11H,12H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,7,9,20,22,19,23,4,8,10,14,6,21,18,3,15,11,24,17,16,12,2,13/E:(2,3)(5,6)(7,8)(9,10)/rA:24nCOCCCCCCCCCOOCCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16FNO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:7.66965
Area:533.988
Solvation:-5.68006
Coulombic:-51.0586
Bond Count [?]
All:25
Single:16
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:329.322
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.04
LogP (Chemaxon):3.15

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue