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Chemical ID: 5902147
Chemical ID:
5902147
Name [?]:
4-fluoro-N-[4-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]phenyl]-benzamide
SMILES [?]:
CC(CC(=O)N1CCN(CC1)c2ccc(cc2)NC(=O)c3ccc(cc3)F)CC(C)(C)C
InChi [?]:
InChI=1/C26H34FN3O2/c1-19(18-26(2,3)4)17-24(31)30-15-13-29(14-16-30)23-11-9-22(10-12-23)28-25(32)20-5-7-21(27)8-6-20/h5-12,19H,13-18H2,1-4H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,30,31,32,22,26,23,25,14,16,13,17,8,10,7,11,3,28,2,21,24,15,12,4,19,29,27,18,9,6,5,20/E:(2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)/rA:32cCCCCONCCNCCCCCCCCNCOCCCCCCFCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s6s10;s9;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;d22;s23;d24;d21s25;s24;s2;s28;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H34FN3O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.4509 |
Area: | 687.268 |
Solvation: | -4.73084 |
Coulombic: | -48.3255 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 439.566 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.38 |
LogP (Chemaxon): | 5.52 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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