Chemical ID: 6403562

c1ccc(cc1)C=C2C(=O)NC(=Nc3ccc4ccccc4c3)S2
Chemical ID:
6403562
Name [?]:
5-benzylidene-2-(2-naphthylimino)thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)C=C2C(=O)NC(=Nc3ccc4ccccc4c3)S2
InChi [?]:
InChI=1/C20H14N2OS/c23-19-18(12-14-6-2-1-3-7-14)24-20(22-19)21-17-11-10-15-8-4-5-9-16(15)13-17/h1-13H,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,20,3,5,18,21,16,15,7,23,4,17,22,14,8,9,12,13,11,10,24/E:(2,3)(6,7)/rA:24nCCCCCCCCCONCNCCCCCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;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:11.0286
Area:525.221
Solvation:-2.10195
Coulombic:-31.2423
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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Descriptor Annotations

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