Chemical ID: 4334883

COc1ccc(cc1OC)C(=O)N2CCN(CC2)C(=O)c3cccc(c3)F
Chemical ID:
4334883
Name [?]:
(3,4-dimethoxyphenyl)-[4-(3-fluorobenzoyl)piperazin-1-yl]-methanone
SMILES [?]:
COc1ccc(cc1OC)C(=O)N2CCN(CC2)C(=O)c3cccc(c3)F
InChi [?]:
InChI=1/C20H21FN2O4/c1-26-17-7-6-15(13-18(17)27-2)20(25)23-10-8-22(9-11-23)19(24)14-4-3-5-16(21)12-14/h3-7,12-13H,8-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,23,22,24,5,4,15,17,14,18,26,7,21,6,25,3,8,19,11,27,16,13,20,12,2,9/E:(8,9)(10,11)/rA:27nCOCCCCCCOCCONCCNCCCOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21FN2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.86458
Area:566.768
Solvation:-7.30461
Coulombic:-51.3115
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:2.44
LogP (Chemaxon):1.66

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Descriptor Annotations

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