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Chemical ID: 3939547
Chemical ID:
3939547
Name [?]:
4-(4-methoxybenzoyl)amino-N,N-bis[4-(4-methoxybenzoyl)amino-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
COc1ccc(cc1)C(=O)NC2CCN(CC2)C(=O)Nc3ccccc3Cl
InChi [?]:
InChI=1/C20H22ClN3O3/c1-27-16-8-6-14(7-9-16)19(25)22-15-10-12-24(13-11-15)20(26)23-18-5-3-2-4-17(18)21/h2-9,15H,10-13H2,1H3,(H,22,25)(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,5,7,4,8,13,17,14,16,6,12,3,26,21,9,18,27,11,20,15,10,19,2/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCOCCCCCCCONCCCNCCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22ClN3O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2215 |
Area: | 606.108 |
Solvation: | -3.93122 |
Coulombic: | -60.7536 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 387.86 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.36 |
LogP (Chemaxon): | 1.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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