Chemical ID: 7413829

c1ccc2c(c1)cccc2SCC(=O)Nc3ccccc3N4CCOCC4
Chemical ID:
7413829
Name [?]:
N-(2-morpholinophenyl)-2-(1-naphthylsulfanyl)acetamide
SMILES [?]:
c1ccc2c(c1)cccc2SCC(=O)Nc3ccccc3N4CCOCC4
InChi [?]:
InChI=1/C22H22N2O2S/c25-22(16-27-21-11-5-7-17-6-1-2-8-18(17)21)23-19-9-3-4-10-20(19)24-12-14-26-15-13-24/h1-11H,12-16H2,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,8,6,7,3,17,20,9,23,27,24,26,12,5,4,16,21,10,13,15,22,14,25,11/E:(12,13)(14,15)/rA:27nCCCCCCCCCCSCCONCCCCCCNCCOCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H22N2O2S
All Atoms:49
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.4828
Area:592.909
Solvation:-4.33996
Coulombic:-37.7432
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:378.488
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.31
LogP (Chemaxon):4.39

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Descriptor Annotations

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