Chemical ID: 7411006

Cc1cc(c2c(cc(=O)oc2c1)CN3CCN(CC3)c4ccccc4OC)C
Chemical ID:
7411006
Name [?]:
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-5,7-dimethyl-chromen-2-one
SMILES [?]:
Cc1cc(c2c(cc(=O)oc2c1)CN3CCN(CC3)c4ccccc4OC)C
InChi [?]:
InChI=1/C23H26N2O3/c1-16-12-17(2)23-18(14-22(26)28-21(23)13-16)15-24-8-10-25(11-9-24)19-6-4-5-7-20(19)27-3/h4-7,12-14H,8-11,15H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,27,22,23,21,24,15,19,16,18,3,12,7,13,2,4,6,20,25,11,8,5,14,17,9,26,10/E:(8,9)(10,11)/rA:28nCCCCCCCCOOCCCNCCNCCCCCCCCOCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d5s10;d2s11;s6;s13;s14;s15;s16;s17;s14s18;s17;s20;d21;s22;d23;d20s24;s25;s26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O3
All Atoms:54
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.50585
Area:580.292
Solvation:-5.00146
Coulombic:-37.787
Bond Count [?]
All:31
Single:23
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:378.464
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.04
LogP (Chemaxon):4.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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