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Chemical ID: 6691942
Chemical ID:
6691942
Name [?]:
3-tritylaminooxetan-2-one
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NC4COC4=O
InChi [?]:
InChI=1/C22H19NO2/c24-21-20(16-25-21)23-22(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20,23H,16H2
InChi Info:
AuxInfo=1/0/N:1,11,17,2,6,10,12,16,18,3,5,9,13,15,19,22,4,8,14,21,24,7,20,25,23/E:(1,2,3)(4,5,6,7,8,9)(10,11,12,13,14,15)(17,18,19)/rA:25cCCCCCCCCCCCCCCCCCCCNCCOCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s16;d17;d14s18;s7;s20;s21;s22;s21s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.34524 |
Area: | 496.628 |
Solvation: | -3.07045 |
Coulombic: | -33.5346 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 329.392 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.1 |
LogP (Chemaxon): | 4.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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