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Chemical ID: 7485757
Chemical ID:
7485757
Name [?]:
3,4,5-trimethoxy-N-[2-[(4-methyl-1-piperidyl)carbonyl]phenyl]-benzamide
SMILES [?]:
CC1CCN(CC1)C(=O)c2ccccc2NC(=O)c3cc(c(c(c3)OC)OC)OC
InChi [?]:
InChI=1/C23H28N2O5/c1-15-9-11-25(12-10-15)23(27)17-7-5-6-8-18(17)24-22(26)16-13-19(28-2)21(30-4)20(14-16)29-3/h5-8,13-15H,9-12H2,1-4H3,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,26,30,28,12,13,11,14,3,7,4,6,24,20,2,19,10,15,23,21,22,17,8,16,5,18,9,25,29,27/E:(2,3)(9,10)(11,12)(13,14)(19,20)(28,29)/rA:30nCCCCNCCCOCCCCCCNCOCCCCCCOCOCOC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;s21;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H28N2O5 |
All Atoms: | 58 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.1844 |
Area: | 624.504 |
Solvation: | -6.42821 |
Coulombic: | -60.9766 |
Bond Count [?]
All: | 32 |
Single: | 24 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 412.479 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.68 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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