Chemical ID: 6876980

Cc1ccc(cc1)NC(=O)CSCCCc2ccccc2
Chemical ID:
6876980
Name [?]:
2-(3-phenylpropylsulfanyl)-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSCCCc2ccccc2
InChi [?]:
InChI=1/C18H21NOS/c1-15-9-11-17(12-10-15)19-18(20)14-21-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,14,17,21,15,3,7,4,6,13,11,2,16,5,9,8,10,12/E:(3,4)(6,7)(9,10)(11,12)/rA:21nCCCCCCCNCOCSCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21NOS
All Atoms:42
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.5587
Area:542.879
Solvation:-3.01331
Coulombic:-23.121
Bond Count [?]
All:22
Single:15
Double:7
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:299.431
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.38
LogP (Chemaxon):4.64

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