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Chemical ID: 3966214
Chemical ID:
3966214
Name [?]:
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-(4-pyridyl)acetamide
SMILES [?]:
c1ccc2c(c1)c(cn2Cc3ccc(cc3)Cl)C(=O)C(=O)Nc4ccncc4
InChi [?]:
InChI=1/C22H16ClN3O2/c23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17/h1-12,14H,13H2,(H,24,25,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,16,13,15,24,28,25,27,10,8,11,14,23,5,7,4,18,20,17,26,22,9,19,21/E:(5,6)(7,8)(9,10)(11,12)/rA:28nCCCCCCCCNCCCCCCCClCOCONCCCNCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s7;d18;s18;d20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16ClN3O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1326 |
Area: | 605.812 |
Solvation: | -3.01272 |
Coulombic: | -44.4838 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 389.834 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.06 |
LogP (Chemaxon): | 4.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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