ChemDB: Chemical Search
Download
Chemical ID: 6575069
Chemical ID:
6575069
Name [?]:
N-(1-benzyl-4-piperidyl)-2,6-dimethoxy-N-phenyl-benzamide
SMILES [?]:
COc1cccc(c1C(=O)N(c2ccccc2)C3CCN(CC3)Cc4ccccc4)OC
InChi [?]:
InChI=1/C27H30N2O3/c1-31-24-14-9-15-25(32-2)26(24)27(30)29(22-12-7-4-8-13-22)23-16-18-28(19-17-23)20-21-10-5-3-6-11-21/h3-15,23H,16-20H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,28,15,27,29,14,16,5,26,30,13,17,4,6,19,23,20,22,24,25,12,18,3,7,8,9,21,11,10,2,31/E:(1,2)(5,6)(7,8)(10,11)(12,13)(14,15)(16,17)(18,19)(24,25)(31,32)/rA:32nCOCCCCCCCONCCCCCCCCCNCCCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s11;s18;s19;s20;s21;s18s22;s21;s24;s25;d26;s27;d28;d25s29;s7;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H30N2O3 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2791 |
Area: | 640.48 |
Solvation: | -5.73295 |
Coulombic: | -38.745 |
Bond Count [?]
All: | 35 |
Single: | 25 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 430.539 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.07 |
LogP (Chemaxon): | 4.12 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|