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Chemical ID: 7347437
Chemical ID:
7347437
Name [?]:
N-(2-azepan-1-yl-5-chloro-phenyl)-2-(2-phenylphenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)c2ccccc2OCC(=O)Nc3cc(ccc3N4CCCCCC4)Cl
InChi [?]:
InChI=1/C26H27ClN2O2/c27-21-14-15-24(29-16-8-1-2-9-17-29)23(18-21)28-26(30)19-31-25-13-7-6-12-22(25)20-10-4-3-5-11-20/h3-7,10-15,18H,1-2,8-9,16-17,19H2,(H,28,30)
InChi Info:
AuxInfo=1/1/N:27,28,1,2,6,9,10,26,29,3,5,8,11,21,22,25,30,19,14,4,20,7,18,23,12,15,31,17,24,16,13/E:(1,2)(4,5)(8,9)(10,11)(16,17)/rA:31nCCCCCCCCCCCCOCCONCCCCCCNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s12;s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s24;s25;s26;s27;s28;s24s29;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H27ClN2O2 |
All Atoms: | 58 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2242 |
Area: | 663.638 |
Solvation: | -4.36679 |
Coulombic: | -38.1479 |
Bond Count [?]
All: | 34 |
Single: | 24 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 434.958 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 6.67 |
LogP (Chemaxon): | 6.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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