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Chemical ID: 7305756
Chemical ID:
7305756
Name [?]:
[4-(2-methoxyphenyl)piperazin-1-yl]-[2-(4-pyridyl)-4-quinolyl]-methanone
SMILES [?]:
COc1ccccc1N2CCN(CC2)C(=O)c3cc(nc4c3cccc4)c5ccncc5
InChi [?]:
InChI=1/C26H24N4O2/c1-32-25-9-5-4-8-24(25)29-14-16-30(17-15-29)26(31)21-18-23(19-10-12-27-13-11-19)28-22-7-3-2-6-20(21)22/h2-13,18H,14-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,24,25,6,5,23,26,7,4,28,32,29,31,10,14,11,13,18,27,22,17,21,19,8,3,15,30,20,9,12,16,2/E:(10,11)(12,13)(14,15)(16,17)/rA:32nCOCCCCCCNCCNCCCOCCCNCCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;d18;s19;d20;d17s21;s22;d23;s24;s21d25;s19;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H24N4O2 |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6674 |
Area: | 643.671 |
Solvation: | -5.42439 |
Coulombic: | -41.4344 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 424.495 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.17 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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