Chemical ID: 7410269

Cc1ccc2c(c1)c(cc(=O)o2)CN3CCN(CC3)c4ccccc4OC
Chemical ID:
7410269
Name [?]:
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methyl-chromen-2-one
SMILES [?]:
Cc1ccc2c(c1)c(cc(=O)o2)CN3CCN(CC3)c4ccccc4OC
InChi [?]:
InChI=1/C22H24N2O3/c1-16-7-8-20-18(13-16)17(14-22(25)27-20)15-23-9-11-24(12-10-23)19-5-3-4-6-21(19)26-2/h3-8,13-14H,9-12,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,22,23,21,24,3,4,15,19,16,18,7,9,13,2,8,6,20,5,25,10,14,17,11,26,12/E:(9,10)(11,12)/rA:27nCCCCCCCCCCOOCNCCNCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s5s10;s8;s13;s14;s15;s16;s17;s14s18;s17;s20;d21;s22;d23;d20s24;s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O3
All Atoms:51
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.41591
Area:578.237
Solvation:-5.04001
Coulombic:-37.8284
Bond Count [?]
All:30
Single:22
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:364.438
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.61
LogP (Chemaxon):4.17

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