Chemical ID: 4239925

Cc1ccc(cc1)SCCC(=O)Nc2cccc(c2)C
Chemical ID:
4239925
Name [?]:
N-(m-tolyl)-3-(p-tolylsulfanyl)propanamide
SMILES [?]:
Cc1ccc(cc1)SCCC(=O)Nc2cccc(c2)C
InChi [?]:
InChI=1/C17H19NOS/c1-13-6-8-16(9-7-13)20-11-10-17(19)18-15-5-3-4-14(2)12-15/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,16,17,15,3,7,4,6,10,9,19,2,18,14,5,11,13,12,8/E:(6,7)(8,9)/rA:20nCCCCCCCSCCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NOS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.5424
Area:508.647
Solvation:-2.17382
Coulombic:-22.5724
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:285.405
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.47
LogP (Chemaxon):4.79

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue