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Chemical ID: 4409179
Chemical ID:
4409179
Name [?]:
N-(4-benzyloxyphenyl)-1-(2-chlorobenzoyl)-piperidine-4-carboxamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)NC(=O)C3CCN(CC3)C(=O)c4ccccc4Cl
InChi [?]:
InChI=1/C26H25ClN2O3/c27-24-9-5-4-8-23(24)26(31)29-16-14-20(15-17-29)25(30)28-21-10-12-22(13-11-21)32-18-19-6-2-1-3-7-19/h1-13,20H,14-18H2,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,2,6,28,29,3,5,27,30,11,13,10,14,19,23,20,22,7,4,18,12,9,26,31,16,24,32,15,21,17,25,8/E:(2,3)(6,7)(10,11)(12,13)(14,15)(16,17)/rA:32nCCCCCCCOCCCCCCNCOCCCNCCCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;s15;d16;s16;s18;s19;s20;s21;s18s22;s21;d24;s24;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H25ClN2O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2809 |
Area: | 692.03 |
Solvation: | -5.01985 |
Coulombic: | -47.186 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 448.941 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.09 |
LogP (Chemaxon): | 4.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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