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Chemical ID: 6584767
Chemical ID:
6584767
Name [?]:
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)-methanone
SMILES [?]:
c1cc(c(cc1F)F)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3F)F
InChi [?]:
InChI=1/C18H14F4N2O2/c19-11-1-3-13(15(21)9-11)17(25)23-5-7-24(8-6-23)18(26)14-4-2-12(20)10-16(14)22/h1-4,9-10H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,21,2,20,12,16,13,15,5,23,6,22,3,19,4,24,9,17,7,26,8,25,11,14,10,18/E:(1,2)(3,4)(5,6,7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/rA:26nCCCCCCFFCONCCNCCCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14F4N2O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.4329 |
Area: | 513.026 |
Solvation: | -7.39276 |
Coulombic: | -45.25 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 366.31 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.36 |
LogP (Chemaxon): | 2.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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