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Chemical ID: 7510900
Chemical ID:
7510900
Name [?]:
1-[(2-chloro-6-fluoro-phenyl)methyl]-N-cycloheptyl-piperidine-4-carboxamide
SMILES [?]:
c1cc(c(c(c1)Cl)CN2CCC(CC2)C(=O)NC3CCCCCC3)F
InChi [?]:
InChI=1/C20H28ClFN2O/c21-18-8-5-9-19(22)17(18)14-24-12-10-15(11-13-24)20(25)23-16-6-3-1-2-4-7-16/h5,8-9,15-16H,1-4,6-7,10-14H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:21,22,20,23,1,19,24,6,2,11,13,10,14,8,12,18,4,5,3,15,7,25,17,9,16/E:(1,2)(3,4)(6,7)(10,11)(12,13)/rA:25nCCCCCCClCNCCCCCCONCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s18;s19;s20;s21;s22;s18s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28ClFN2O |
All Atoms: | 53 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.2294 |
Area: | 564.634 |
Solvation: | -2.88649 |
Coulombic: | -31.4272 |
Bond Count [?]
All: | 27 |
Single: | 23 |
Double: | 4 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.66 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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