Chemical ID: 5572349

CCc1cccc(c1NC(=O)COC(=O)c2ccc(cc2)OCc3ccccc3)CC
Chemical ID:
5572349
Name [?]:
(2,6-diethylphenyl)carbamoylmethyl 4-benzyloxybenzoate
SMILES [?]:
CCc1cccc(c1NC(=O)COC(=O)c2ccc(cc2)OCc3ccccc3)CC
InChi [?]:
InChI=1/C26H27NO4/c1-3-20-11-8-12-21(4-2)25(20)27-24(28)18-31-26(29)22-13-15-23(16-14-22)30-17-19-9-6-5-7-10-19/h5-16H,3-4,17-18H2,1-2H3,(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,31,2,30,27,26,28,5,25,29,4,6,17,21,18,20,23,12,24,3,7,16,19,10,8,14,9,11,15,22,13/E:(1,2)(3,4)(6,7)(9,10)(11,12)(13,14)(15,16)(20,21)/rA:31nCCCCCCCCNCOCOCOCCCCCCOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;s7;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H27NO4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.3823
Area:692.27
Solvation:-4.92444
Coulombic:-50.7862
Bond Count [?]
All:33
Single:22
Double:11
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:417.497
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.7
LogP (Chemaxon):4.63

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