Chemical ID: 7258530

CSc1c(cccn1)C(=O)NC2CCCCCC2
Chemical ID:
7258530
Name [?]:
N-cycloheptyl-2-methylsulfanyl-pyridine-3-carboxamide
SMILES [?]:
CSc1c(cccn1)C(=O)NC2CCCCCC2
InChi [?]:
InChI=1/C14H20N2OS/c1-18-14-12(9-6-10-15-14)13(17)16-11-7-4-2-3-5-8-11/h6,9-11H,2-5,7-8H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,15,16,14,17,6,13,18,5,7,12,4,9,3,8,11,10,2/E:(2,3)(4,5)(7,8)/rA:18nCSCCCCCNCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s4;d9;s9;s11;s12;s13;s14;s15;s16;s12s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N2OS
All Atoms:38
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.02479
Area:448.404
Solvation:-2.18532
Coulombic:-28.1351
Bond Count [?]
All:19
Single:15
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:264.387
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.4
LogP (Chemaxon):2.97

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Descriptor Annotations

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