Chemical ID: 6796507

c1ccc(cc1)CSCCNC(=O)c2cccnc2S
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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Descriptor Annotations

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