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Chemical ID: 7253596
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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