Chemical ID: 7293672

c1ccc(cc1)CNC(=O)c2cccnc2Sc3ccccc3
Chemical ID:
7293672
Name [?]:
N-benzyl-2-phenylsulfanyl-pyridine-3-carboxamide
SMILES [?]:
c1ccc(cc1)CNC(=O)c2cccnc2Sc3ccccc3
InChi [?]:
InChI=1/C19H16N2OS/c22-18(21-14-15-8-3-1-4-9-15)17-12-7-13-20-19(17)23-16-10-5-2-6-11-16/h1-13H,14H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,21,2,6,20,22,13,3,5,19,23,12,14,7,4,18,11,9,16,15,8,10,17/E:(3,4)(5,6)(8,9)(10,11)/rA:23nCCCCCCCNCOCCCCNCSCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2OS
All Atoms:39
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.6175
Area:531.657
Solvation:-2.67394
Coulombic:-30.5426
Bond Count [?]
All:25
Single:15
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:320.409
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.17
LogP (Chemaxon):4.62

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Descriptor Annotations

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