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Chemical ID: 5800101
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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