ChemDB: Chemical Search
Download
Chemical ID: 5788242
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.
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 |
---|