Chemical ID: 5788242

CC(C)(C)OC(=O)N1CC(=O)OC(C1c2ccccc2)c3ccccc3
Chemical ID:
5788242
Name [?]:
tert-butyl 6-oxo-2,3-diphenyl-morpholine-4-carboxylate
SMILES [?]:
CC(C)(C)OC(=O)N1CC(=O)OC(C1c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C21H23NO4/c1-21(2,3)26-20(24)22-14-17(23)25-19(16-12-8-5-9-13-16)18(22)15-10-6-4-7-11-15/h4-13,18-19H,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,18,24,17,19,23,25,16,20,22,26,9,15,21,10,14,13,6,2,8,11,7,12,5/E:(1,2,3)(6,7)(8,9)(10,11)(12,13)/rA:26cCCCCOCONCCOOCCCCCCCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s10;s12;s8s13;s14;s15;d16;s17;d18;d15s19;s13;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H23NO4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:10.1829
Area:536.957
Solvation:-3.24105
Coulombic:-51.4713
Bond Count [?]
All:28
Single:20
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.412
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.44
LogP (Chemaxon):4.01

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