Chemical ID: 5982009

c1ccc(cc1)n2c(cc(n2)c3ccc(cc3)F)C(=O)N4CCOCC4
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

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Descriptor Annotations

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