Chemical ID: 5759191

c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc4ccccc4c3)S2
Chemical ID:
5759191
Name [?]:
5-(2-naphthylmethylene)-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2NC(=O)C(=Cc3ccc4ccccc4c3)S2
InChi [?]:
InChI=1/C20H14N2OS/c23-19-18(24-20(22-19)21-17-8-2-1-3-9-17)13-14-10-11-15-6-4-5-7-16(15)12-14/h1-13H,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,20,18,21,3,5,15,16,23,13,14,17,22,4,12,10,8,7,9,11,24/E:(2,3)(8,9)/rA:24nCCCCCCNCNCOCCCCCCCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;s17;d18;s19;d20;d17s21;d14s22;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14N2OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.0267
Area:526.165
Solvation:-2.12743
Coulombic:-31.2721
Bond Count [?]
All:27
Single:16
Double:11
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:330.404
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.36
LogP (Chemaxon):5.35

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