Chemical ID: 6544379

c1cc2cccnc2c(c1)SCC(=O)NN=Cc3ccncc3
Chemical ID:
6544379
Name [?]:
N-(4-pyridylmethyleneamino)-2-(8-quinolylsulfanyl)acetamide
SMILES [?]:
c1cc2cccnc2c(c1)SCC(=O)NN=Cc3ccncc3
InChi [?]:
InChI=1/C17H14N4OS/c22-16(21-20-11-13-6-9-18-10-7-13)12-23-15-5-1-3-14-4-2-8-19-17(14)15/h1-11H,12H2,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,10,19,23,6,20,22,17,12,18,3,9,13,8,21,7,16,15,14,11/E:(6,7)(9,10)/rA:23nCCCCCCNCCCSCCONNCCCCNCC/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N4OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.47656
Area:530.523
Solvation:-5.78651
Coulombic:-26.6772
Bond Count [?]
All:25
Single:15
Double:10
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:322.385
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.09
LogP (Chemaxon):2.38

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Descriptor Annotations

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