Chemical ID: 6477918

Cc1ccc(cc1)Sc2c(cccn2)C(=O)NCCc3c[nH]c4c3cccc4
Chemical ID:
6477918
Name [?]:
N-[2-(1H-indol-3-yl)ethyl]-2-(p-tolylsulfanyl)pyridine-3-carboxamide
SMILES [?]:
Cc1ccc(cc1)Sc2c(cccn2)C(=O)NCCc3c[nH]c4c3cccc4
InChi [?]:
InChI=1/C23H21N3OS/c1-16-8-10-18(11-9-16)28-23-20(6-4-13-25-23)22(27)24-14-12-17-15-26-21-7-3-2-5-19(17)21/h2-11,13,15,26H,12,14H2,1H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,26,27,12,25,11,28,3,7,4,6,19,13,18,21,2,20,5,24,10,23,15,9,17,14,22,16,8/E:(8,9)(10,11)/rA:28nCCCCCCCSCCCCCNCONCCCCNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s10;d15;s15;s17;s18;s19;d20;s21;s22;s20s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H21N3OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.1982
Area:623.189
Solvation:-3.38152
Coulombic:-40.0238
Bond Count [?]
All:31
Single:20
Double:11
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:387.498
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.83
LogP (Chemaxon):5.74

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Descriptor Annotations

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