Chemical ID: 5062598

CCOC(=O)c1ccc(cc1)NC(c2ccccc2)C(=O)c3ccccc3
Chemical ID:
5062598
Name [?]:
ethyl 4-(2-oxo-1,2-diphenyl-ethyl)aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(c2ccccc2)C(=O)c3ccccc3
InChi [?]:
InChI=1/C23H21NO3/c1-2-27-23(26)19-13-15-20(16-14-19)24-21(17-9-5-3-6-10-17)22(25)18-11-7-4-8-12-18/h3-16,21,24H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,25,16,18,24,26,15,19,23,27,7,11,8,10,14,22,6,9,13,20,4,12,21,5,3/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:27cCCOCOCCCCCCNCCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;d15;s16;d17;d14s18;s13;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21NO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.7001
Area:596.515
Solvation:-3.21282
Coulombic:-44.2619
Bond Count [?]
All:29
Single:18
Double:11
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:359.418
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.93
LogP (Chemaxon):4.55

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