Chemical ID: 7305762

COc1ccc(c(c1)C(=O)N2CCN(CC2)c3ccccc3OC)Br
Chemical ID:
7305762
Name [?]:
(2-bromo-5-methoxy-phenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]-methanone
SMILES [?]:
COc1ccc(c(c1)C(=O)N2CCN(CC2)c3ccccc3OC)Br
InChi [?]:
InChI=1/C19H21BrN2O3/c1-24-14-7-8-16(20)15(13-14)19(23)22-11-9-21(10-12-22)17-5-3-4-6-18(17)25-2/h3-8,13H,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,19,20,18,21,4,5,13,15,12,16,8,3,7,6,17,22,9,25,14,11,10,2,23/E:(9,10)(11,12)/rA:25nCOCCCCCCCONCCNCCCCCCCCOCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s22;s23;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21BrN2O3
All Atoms:46
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.25454
Area:554.468
Solvation:-5.60715
Coulombic:-37.8487
Bond Count [?]
All:27
Single:20
Double:7
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:405.286
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.01
LogP (Chemaxon):3.43

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