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Chemical ID: 6479439
Chemical ID:
6479439
Name [?]:
4-(4-fluorophenyl)-N-(o-tolyl)piperazine-1-carboxamide
SMILES [?]:
Cc1ccccc1NC(=O)N2CCN(CC2)c3ccc(cc3)F
InChi [?]:
InChI=1/C18H20FN3O/c1-14-4-2-3-5-17(14)20-18(23)22-12-10-21(11-13-22)16-8-6-15(19)7-9-16/h2-9H,10-13H2,1H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,19,21,18,22,13,15,12,16,2,20,17,7,9,23,8,14,11,10/E:(6,7)(8,9)(10,11)(12,13)/rA:23nCCCCCCCNCONCCNCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H20FN3O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14005 |
Area: | 503.324 |
Solvation: | -3.44306 |
Coulombic: | -40.8656 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 313.369 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.26 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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