ChemDB: Chemical Search
Download
Chemical ID: 7293672
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|