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Chemical ID: 6018247
Chemical ID:
6018247
Name [?]:
3-(1H-indol-3-yl)-3-phenyl-N-(3-pyridylmethyl)propanamide
SMILES [?]:
c1ccc(cc1)C(CC(=O)NCc2cccnc2)c3c[nH]c4c3cccc4
InChi [?]:
InChI=1/C23H21N3O/c27-23(26-15-17-7-6-12-24-14-17)13-20(18-8-2-1-3-9-18)21-16-25-22-11-5-4-10-19(21)22/h1-12,14,16,20,25H,13,15H2,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,25,26,15,14,3,5,24,27,16,8,18,12,20,13,4,23,7,19,22,9,17,21,11,10/E:(2,3)(8,9)/rA:27cCCCCCCCCCONCCCCCNCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s7;d19;s20;s21;s19s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21N3O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.1424 |
Area: | 589.402 |
Solvation: | -3.59264 |
Coulombic: | -37.8717 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 355.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.43 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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