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Chemical ID: 5847232
Chemical ID:
5847232
Name [?]:
4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxo-N,N-diphenyl-butanamide
SMILES [?]:
c1ccc(cc1)N(c2ccccc2)C(=O)CCC(=O)N3CCN(CC3)c4ccccc4F
InChi [?]:
InChI=1/C26H26FN3O2/c27-23-13-7-8-14-24(23)28-17-19-29(20-18-28)25(31)15-16-26(32)30(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14H,15-20H2
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,29,28,3,5,9,13,30,27,17,16,22,24,21,25,4,8,31,26,18,14,32,23,20,7,19,15/E:(1,2)(3,4,5,6)(9,10,11,12)(17,18)(19,20)(21,22)/rA:32nCCCCCCNCCCCCCCOCCCONCCNCCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;d18;s18;s20;s21;s22;s23;s20s24;s23;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H26FN3O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7766 |
Area: | 669.733 |
Solvation: | -4.96678 |
Coulombic: | -43.3906 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 431.502 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.26 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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