Chemical ID: 6759775

Cc1ccc(cc1)CC2C(=O)NC(=Nc3cccc[nH+]3)S2
Chemical ID:
6759775
Name [?]:
5-(p-tolylmethyl)-2-(1H-pyridin-2-ylimino)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)CC2C(=O)NC(=Nc3cccc[nH+]3)S2
InChi [?]:
InChI=1/C16H15N3OS/c1-11-5-7-12(8-6-11)10-13-15(20)19-16(21-13)18-14-4-2-3-9-17-14/h2-9,13H,10H2,1H3,(H,17,18,19,20)/p+1
InChi Info:
AuxInfo=1/1/N:1,17,18,16,3,7,4,6,19,8,2,5,9,15,10,13,20,14,12,11,21/E:(5,6)(7,8)/rA:21cCCCCCCCCCCONCNCCCCCN+S/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N3OS+
All Atoms:37
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:-21.7225
Area:489.852
Solvation:-33.9688
Coulombic:-20.3036
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:298.384
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.6
LogP (Chemaxon):4.25

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Descriptor Annotations

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