Chemical ID: 7027468

Cc1ccc(cc1C)CC2C(=O)NC(=Nc3ccccn3)S2
Chemical ID:
7027468
Name [?]:
5-[(3,4-dimethylphenyl)methyl]-2-(2-pyridylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1C)CC2C(=O)NC(=Nc3ccccn3)S2
InChi [?]:
InChI=1/C17H17N3OS/c1-11-6-7-13(9-12(11)2)10-14-16(21)20-17(22-14)19-15-5-3-4-8-18-15/h3-9,14H,10H2,1-2H3,(H,18,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,8,18,19,17,3,4,20,6,9,2,7,5,10,16,11,14,21,15,13,12,22/rA:22cCCCCCCCCCCCONCNCCCCCNS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3OS
All Atoms:39
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.5685
Area:512.762
Solvation:-2.25051
Coulombic:-33.7545
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:311.402
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.04
LogP (Chemaxon):4.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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