Chemical ID: 7519039

Cc1c2cc(ccc2oc1C(=O)N3CCN(CC3)C)Br
Chemical ID:
7519039
Name [?]:
(5-bromo-3-methyl-benzofuran-2-yl)-(4-methylpiperazin-1-yl)-methanone
SMILES [?]:
Cc1c2cc(ccc2oc1C(=O)N3CCN(CC3)C)Br
InChi [?]:
InChI=1/C15H17BrN2O2/c1-10-12-9-11(16)3-4-13(12)20-14(10)15(19)18-7-5-17(2)6-8-18/h3-4,9H,5-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,6,7,15,17,14,18,4,2,5,3,8,10,11,20,16,13,12,9/E:(5,6)(7,8)/rA:20nCCCCCCCCOCCONCCNCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d2s9;s10;d11;s11;s13;s14;s15;s16;s13s17;s16;s5;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17BrN2O2
All Atoms:37
Heavy Atoms:20
Chiral Atoms:None
ZAP Information [?]
Total:9.61473
Area:464.293
Solvation:-1.9926
Coulombic:-31.9435
Bond Count [?]
All:22
Single:17
Double:5
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.21
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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