Chemical ID: 5800101

c1ccc2c(c1)cccc2C=NNC(=O)CSc3cccc4c3nccc4
Chemical ID:
5800101
Name [?]:
N-(1-naphthylmethyleneamino)-2-(8-quinolylsulfanyl)acetamide
SMILES [?]:
c1ccc2c(c1)cccc2C=NNC(=O)CSc3cccc4c3nccc4
InChi [?]:
InChI=1/C22H17N3OS/c26-21(15-27-20-12-4-8-17-10-5-13-23-22(17)20)25-24-14-18-9-3-7-16-6-1-2-11-19(16)18/h1-14H,15H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,2,8,20,26,6,7,21,9,27,3,19,25,11,16,5,22,10,4,18,14,23,24,12,13,15,17/rA:27nCCCCCCCCCCCNNCOCSCCCCCCNCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;w11;s12;s13;d14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;d24;s25;s22d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17N3OS
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.56546
Area:589.909
Solvation:-5.18227
Coulombic:-25.1222
Bond Count [?]
All:30
Single:18
Double:12
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:371.456
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.61
LogP (Chemaxon):4.69

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