Chemical ID: 7347437

c1ccc(cc1)c2ccccc2OCC(=O)Nc3cc(ccc3N4CCCCCC4)Cl
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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Descriptor Annotations

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