Chemical ID: 7253596

CSc1c(cccn1)C(=O)NCC2CCCCC2
Chemical ID:
7253596
Name [?]:
N-(cyclohexylmethyl)-2-methylsulfanyl-pyridine-3-carboxamide
SMILES [?]:
CSc1c(cccn1)C(=O)NCC2CCCCC2
InChi [?]:
InChI=1/C14H20N2OS/c1-18-14-12(8-5-9-15-14)13(17)16-10-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,6,14,18,5,7,12,13,4,9,3,8,11,10,2/E:(3,4)(6,7)/rA:18nCSCCCCCNCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s4;d9;s9;s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H20N2OS
All Atoms:38
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.28764
Area:459.28
Solvation:-2.19436
Coulombic:-28.2066
Bond Count [?]
All:19
Single:15
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:264.387
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.45
LogP (Chemaxon):2.89

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Descriptor Annotations

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