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Chemical ID: 6796507
Chemical ID:
6796507
Name [?]:
N-(2-benzylsulfanylethyl)-2-sulfanyl-pyridine-3-carboxamide
SMILES [?]:
c1ccc(cc1)CSCCNC(=O)c2cccnc2S
InChi [?]:
InChI=1/C15H16N2OS2/c18-14(13-7-4-8-17-15(13)19)16-9-10-20-11-12-5-2-1-3-6-12/h1-8H,9-11H2,(H,16,18)(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,16,3,5,15,17,10,9,7,4,14,12,19,11,18,13,20,8/E:(2,3)(5,6)/rA:20nCCCCCCCSCCNCOCCCCNCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2OS2 |
All Atoms: | 36 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.84088 |
Area: | 522.3 |
Solvation: | -3.21663 |
Coulombic: | -30.6201 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.12 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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