Chemical ID: 7140101

COc1ccccc1C=C2C(=O)NC(=Nc3cccc4c3cccc4)S2
Chemical ID:
7140101
Name [?]:
5-[(2-methoxyphenyl)methylene]-2-(1-naphthylimino)thiazolidin-4-one
SMILES [?]:
COc1ccccc1C=C2C(=O)NC(=Nc3cccc4c3cccc4)S2
InChi [?]:
InChI=1/C21H16N2O2S/c1-25-18-12-5-3-8-15(18)13-19-20(24)23-21(26-19)22-17-11-6-9-14-7-2-4-10-16(14)17/h2-13H,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,6,23,5,18,25,7,19,22,17,4,9,20,8,21,16,3,10,11,14,15,13,12,2,26/rA:26nCOCCCCCCCCCONCNCCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;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:10.8451
Area:560.471
Solvation:-3.16671
Coulombic:-38.4957
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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