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Chemical ID: 7484195
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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