Chemical ID: 6924407

Cc1ccc(cc1)SCC(=O)N(CCC#N)CCC#N
Chemical ID:
6924407
Name [?]:
N,N-bis(2-cyanoethyl)-2-(p-tolylsulfanyl)acetamide
SMILES [?]:
Cc1ccc(cc1)SCC(=O)N(CCC#N)CCC#N
InChi [?]:
InChI=1/C15H17N3OS/c1-13-4-6-14(7-5-13)20-12-15(19)18(10-2-8-16)11-3-9-17/h4-7H,2-3,10-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,18,3,7,4,6,15,19,13,17,9,2,5,10,16,20,12,11,8/E:(2,3)(4,5)(6,7)(8,9)(10,11)(16,17)/rA:20nCCCCCCCSCCONCCCNCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;t15;s12;s17;s18;t19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17N3OS
All Atoms:37
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.16834
Area:535.78
Solvation:-4.22615
Coulombic:-20.509
Bond Count [?]
All:20
Single:14
Double:4
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:287.381
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.55
LogP (Chemaxon):2.14

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