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Chemical ID: 6475912
Chemical ID:
6475912
Name [?]:
N-[2-(1H-indol-3-yl)ethyl]-3-phenoxy-benzamide
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2)C(=O)NCCc3c[nH]c4c3cccc4
InChi [?]:
InChI=1/C23H20N2O2/c26-23(24-14-13-18-16-25-22-12-5-4-11-21(18)22)17-7-6-10-20(15-17)27-19-8-2-1-3-9-19/h1-12,15-16,25H,13-14H2,(H,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,25,26,10,11,3,5,9,24,27,18,17,13,20,12,19,4,8,23,22,14,16,21,15,7/E:(2,3)(8,9)/rA:27nCCCCCCOCCCCCCCONCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s12;d14;s14;s16;s17;s18;d19;s20;s21;s19s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20N2O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5129 |
Area: | 595.746 |
Solvation: | -3.38078 |
Coulombic: | -42.9033 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 356.417 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.85 |
LogP (Chemaxon): | 4.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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