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Chemical ID: 6018411
Chemical ID:
6018411
Name [?]:
1-(4-benzyl-1-piperidyl)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-propan-1-one
SMILES [?]:
Cn1cc(c2c1cccc2)C(CC(=O)N3CCC(CC3)Cc4ccccc4)c5cc(cc(c5)OC)OC
InChi [?]:
InChI=1/C32H36N2O3/c1-33-22-30(28-11-7-8-12-31(28)33)29(25-18-26(36-2)20-27(19-25)37-3)21-32(35)34-15-13-24(14-16-34)17-23-9-5-4-6-10-23/h4-12,18-20,22,24,29H,13-17,21H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,35,37,25,24,26,9,8,23,27,10,7,17,19,16,20,21,33,29,31,12,3,22,18,28,32,30,5,11,4,6,13,2,15,14,34,36/E:(2,3)(5,6)(9,10)(13,14)(15,16)(18,19)(26,27)(36,37)/rA:37cCNCCCCCCCCCCCONCCCCCCCCCCCCCCCCCCOCOC/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s4;s11;s12;d13;s13;s15;s16;s17;s18;s15s19;s18;s21;s22;d23;s24;d25;d22s26;s11;s28;d29;s30;d31;d28s32;s32;s34;s30;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H36N2O3 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.8169 |
Area: | 757.418 |
Solvation: | -6.11856 |
Coulombic: | -37.6464 |
Bond Count [?]
All: | 41 |
Single: | 30 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 496.64 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 6.06 |
LogP (Chemaxon): | 6.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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