Chemical ID: 4192433

COc1cccc(c1C(=O)N2CCN(CC2)C(=O)c3cccc(c3)F)OC
Chemical ID:
4192433
Name [?]:
(2,6-dimethoxyphenyl)-[4-(3-fluorobenzoyl)piperazin-1-yl]-methanone
SMILES [?]:
COc1cccc(c1C(=O)N2CCN(CC2)C(=O)c3cccc(c3)F)OC
InChi [?]:
InChI=1/C20H21FN2O4/c1-26-16-7-4-8-17(27-2)18(16)20(25)23-11-9-22(10-12-23)19(24)14-5-3-6-15(21)13-14/h3-8,13H,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,21,5,20,22,4,6,13,15,12,16,24,19,23,3,7,8,17,9,25,14,11,18,10,2,26/E:(1,2)(7,8)(9,10)(11,12)(16,17)(26,27)/rA:27nCOCCCCCCCONCCNCCCOCCCCCCFOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;d20;s21;d22;d19s23;s23;s7;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21FN2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.37774
Area:560.016
Solvation:-6.62265
Coulombic:-52.0817
Bond Count [?]
All:29
Single:21
Double:8
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:372.39
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.71
LogP (Chemaxon):1.66

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Descriptor Annotations

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