Chemical ID: 7140128

COc1ccc(cc1)C=C2C(=O)NC(=Nc3cccc4c3cccc4)S2
Chemical ID:
7140128
Name [?]:
5-[(4-methoxyphenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)C=C2C(=O)NC(=Nc3cccc4c3cccc4)S2
InChi [?]:
InChI=1/C21H16N2O2S/c1-25-16-11-9-14(10-12-16)13-19-20(24)23-21(26-19)22-18-8-4-6-15-5-2-3-7-17(15)18/h2-13H,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,23,18,25,19,22,17,5,7,4,8,9,6,20,3,21,16,10,11,14,15,13,12,2,26/E:(9,10)(11,12)/rA:26nCOCCCCCCCCCONCNCCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16N2O2S
All Atoms:42
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.7122
Area:561.966
Solvation:-3.33696
Coulombic:-38.0586
Bond Count [?]
All:29
Single:18
Double:11
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:360.43
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.27
LogP (Chemaxon):5.1

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Descriptor Annotations

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