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Chemical ID: 6544379
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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