Chemical ID: 6691942

c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NC4COC4=O
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

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Experimental Annotations

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Descriptor Annotations

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