Chemical ID: 6018247

c1ccc(cc1)C(CC(=O)NCc2cccnc2)c3c[nH]c4c3cccc4
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

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Descriptor Annotations

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