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Chemical ID: 5982009
Chemical ID:
5982009
Name [?]:
[5-(4-fluorophenyl)-2-phenyl-pyrazol-3-yl]-morpholino-methanone
SMILES [?]:
c1ccc(cc1)n2c(cc(n2)c3ccc(cc3)F)C(=O)N4CCOCC4
InChi [?]:
InChI=1/C20H18FN3O2/c21-16-8-6-15(7-9-16)18-14-19(20(25)23-10-12-26-13-11-23)24(22-18)17-4-2-1-3-5-17/h1-9,14H,10-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,13,17,14,16,22,26,23,25,9,12,15,4,10,8,19,18,11,21,7,20,24/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26nCCCCCCNCCCNCCCCCCFCONCCOCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s10;s12;d13;s14;d15;d12s16;s15;s8;d19;s19;s21;s22;s23;s24;s21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18FN3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.13812 |
Area: | 532.816 |
Solvation: | -5.18229 |
Coulombic: | -35.1716 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 351.374 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.34 |
LogP (Chemaxon): | 2.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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