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Chemical ID: 3957934
Chemical ID:
3957934
Name [?]:
2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidyl]-N,N-diphenyl-acetamide
SMILES [?]:
c1ccc(cc1)N(c2ccccc2)C(=O)CN3CCC(CC3)(c4cccc(c4)C(F)(F)F)O
InChi [?]:
InChI=1/C26H25F3N2O2/c27-26(28,29)21-9-7-8-20(18-21)25(33)14-16-30(17-15-25)19-24(32)31(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-13,18,33H,14-17,19H2
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,25,24,26,3,5,9,13,19,21,18,22,28,16,23,27,4,8,14,20,29,30,31,32,17,7,15,33/E:(1,2)(3,4,5,6)(10,11,12,13)(14,15)(16,17)(22,23)(27,28,29)/rA:33nCCCCCCNCCCCCCCOCNCCCCCCCCCCCCFFFO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;s18;s19;s20;s17s21;s20;s23;d24;s25;d26;d23s27;s27;s29;s29;s29;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H25F3N2O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8961 |
Area: | 658.712 |
Solvation: | -4.57173 |
Coulombic: | -59.611 |
Bond Count [?]
All: | 36 |
Single: | 26 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 454.484 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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