Chemical ID: 4226662

COc1ccccc1C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)F
Chemical ID:
4226662
Name [?]:
[4-(4-fluorobenzoyl)piperazin-1-yl]-(2-methoxyphenyl)-methanone
SMILES [?]:
COc1ccccc1C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H19FN2O3/c1-25-17-5-3-2-4-16(17)19(24)22-12-10-21(11-13-22)18(23)14-6-8-15(20)9-7-14/h2-9H,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,20,24,21,23,13,15,12,16,19,22,8,3,17,9,25,14,11,18,10,2/E:(6,7)(8,9)(10,11)(12,13)/rA:25nCOCCCCCCCONCCNCCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19FN2O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.73947
Area:529.212
Solvation:-5.49083
Coulombic:-45.5467
Bond Count [?]
All:27
Single:19
Double:8
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:342.364
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.79
LogP (Chemaxon):1.91

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