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Chemical ID: 7263590
Chemical ID:
7263590
Name [?]:
N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methyl-acetamide
SMILES [?]:
CCOc1ccc(cc1)CN(C)C(=O)Cc2c[nH]c3c2cccc3
InChi [?]:
InChI=1/C20H22N2O2/c1-3-24-17-10-8-15(9-11-17)14-22(2)20(23)12-16-13-21-19-7-5-4-6-18(16)19/h4-11,13,21H,3,12,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,22,23,21,24,6,8,5,9,15,17,10,7,16,4,20,19,13,18,11,14,3/E:(8,9)(10,11)/rA:24nCCOCCCCCCCNCCOCCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s11;d13;s13;s15;d16;s17;s18;s16s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H22N2O2 |
All Atoms: | 46 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.47817 |
Area: | 542.932 |
Solvation: | -4.09512 |
Coulombic: | -34.9613 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 322.401 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.5 |
LogP (Chemaxon): | 3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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