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Chemical ID: 5566883
Chemical ID:
5566883
Name [?]:
1-tritylpiperidin-4-one
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)(c3ccccc3)N4CCC(=O)CC4
InChi [?]:
InChI=1/C24H23NO/c26-23-16-18-25(19-17-23)24(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H,16-19H2
InChi Info:
AuxInfo=1/0/N:1,11,17,2,6,10,12,16,18,3,5,9,13,15,19,22,25,21,26,4,8,14,23,7,20,24/E:(1,2,3)(4,5,6,7,8,9)(10,11,12,13,14,15)(16,17)(18,19)(20,21,22)/rA:26nCCCCCCCCCCCCCCCCCCCNCCCOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s16;d17;d14s18;s7;s20;s21;s22;d23;s23;s20s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23NO |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5684 |
Area: | 519.576 |
Solvation: | -2.42103 |
Coulombic: | -18.3037 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 341.446 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.74 |
LogP (Chemaxon): | 5.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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