Chemical ID: 7484195

c1ccc(cc1)C(c2ccccc2)C(=O)Nc3ccccc3C(=O)N4CCCCCC4
Chemical ID:
7484195
Name [?]:
N-(2-azepan-1-ylcarbonylphenyl)-2,2-diphenyl-acetamide
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)C(=O)Nc3ccccc3C(=O)N4CCCCCC4
InChi [?]:
InChI=1/C27H28N2O2/c30-26(25(21-13-5-3-6-14-21)22-15-7-4-8-16-22)28-24-18-10-9-17-23(24)27(31)29-19-11-1-2-12-20-29/h3-10,13-18,25H,1-2,11-12,19-20H2,(H,28,30)
InChi Info:
AuxInfo=1/1/N:28,29,1,11,2,6,10,12,20,19,27,30,3,5,9,13,21,18,26,31,4,8,22,17,7,14,23,16,25,15,24/E:(1,2)(3,4)(5,6,7,8)(11,12)(13,14,15,16)(19,20)(21,22)/rA:31nCCCCCCCCCCCCCCONCCCCCCCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s23;s25;s26;s27;s28;s29;s25s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28N2O2
All Atoms:59
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:12.2125
Area:612.894
Solvation:-3.10985
Coulombic:-42.3599
Bond Count [?]
All:34
Single:23
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:412.523
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.67
LogP (Chemaxon):5.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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