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Chemical ID: 7411006
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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