Chemical ID: 7347209

c1ccc(cc1)Cc2ccccc2OCC(=O)Nc3cc(ccc3N4CCCCCC4)Cl
Chemical ID:
7347209
Name [?]:
N-(2-azepan-1-yl-5-chloro-phenyl)-2-(2-benzylphenoxy)-acetamide
SMILES [?]:
c1ccc(cc1)Cc2ccccc2OCC(=O)Nc3cc(ccc3N4CCCCCC4)Cl
InChi [?]:
InChI=1/C27H29ClN2O2/c28-23-14-15-25(30-16-8-1-2-9-17-30)24(19-23)29-27(31)20-32-26-13-7-6-12-22(26)18-21-10-4-3-5-11-21/h3-7,10-15,19H,1-2,8-9,16-18,20H2,(H,29,31)
InChi Info:
AuxInfo=1/1/N:28,29,1,2,6,10,11,27,30,3,5,9,12,22,23,26,31,7,20,15,4,8,21,19,24,13,16,32,18,25,17,14/E:(1,2)(4,5)(8,9)(10,11)(16,17)/rA:32nCCCCCCCCCCCCCOCCONCCCCCCNCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;s14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;s25;s26;s27;s28;s29;s25s30;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H29ClN2O2
All Atoms:61
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.8748
Area:681.184
Solvation:-4.15482
Coulombic:-38.3761
Bond Count [?]
All:35
Single:25
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:448.984
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.48
LogP (Chemaxon):6.86

Name Annotations

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Descriptor Annotations

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