Chemical ID: 7272812

CCOc1ccccc1NC(=O)c2ccc(cc2)CSC
Chemical ID:
7272812
Name [?]:
N-(2-ethoxyphenyl)-4-(methylsulfanylmethyl)benzamide
SMILES [?]:
CCOc1ccccc1NC(=O)c2ccc(cc2)CSC
InChi [?]:
InChI=1/C17H19NO2S/c1-3-20-16-7-5-4-6-15(16)18-17(19)14-10-8-13(9-11-14)12-21-2/h4-11H,3,12H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,2,7,6,8,5,15,17,14,18,19,16,13,9,4,11,10,12,3,20/E:(8,9)(10,11)/rA:21nCCOCCCCCCNCOCCCCCCCSC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO2S
All Atoms:40
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.1696
Area:525.909
Solvation:-2.97811
Coulombic:-32.381
Bond Count [?]
All:22
Single:15
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:301.404
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.07
LogP (Chemaxon):3.92

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