Chemical ID: 5546048

Cc1c2cc(ccc2oc1C(=O)N3CCN(CC3)c4ccccc4)Br
Chemical ID:
5546048
Name [?]:
(5-bromo-3-methyl-benzofuran-2-yl)-(4-phenylpiperazin-1-yl)-methanone
SMILES [?]:
Cc1c2cc(ccc2oc1C(=O)N3CCN(CC3)c4ccccc4)Br
InChi [?]:
InChI=1/C20H19BrN2O2/c1-14-17-13-15(21)7-8-18(17)25-19(14)20(24)23-11-9-22(10-12-23)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,21,23,20,24,6,7,15,17,14,18,4,2,5,19,3,8,10,11,25,16,13,12,9/E:(3,4)(5,6)(9,10)(11,12)/rA:25nCCCCCCCCOCCONCCNCCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;s19;d20;s21;d22;d19s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19BrN2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1499
Area:543.067
Solvation:-2.4268
Coulombic:-34.7738
Bond Count [?]
All:28
Single:20
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:399.281
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.38
LogP (Chemaxon):4.75

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Descriptor Annotations

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