Chemical ID: 6167921

Cc1ccc(cc1C)NC(=O)CCSc2ccccc2
Chemical ID:
6167921
Name [?]:
N-(3,4-dimethylphenyl)-3-phenylsulfanyl-propanamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CCSc2ccccc2
InChi [?]:
InChI=1/C17H19NOS/c1-13-8-9-15(12-14(13)2)18-17(19)10-11-20-16-6-4-3-5-7-16/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,8,18,17,19,16,20,3,4,12,13,6,2,7,5,15,10,9,11,14/E:(4,5)(6,7)/rA:20nCCCCCCCCNCOCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NOS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.4907
Area:505.876
Solvation:-2.15616
Coulombic:-22.6112
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

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