Chemical ID: 7140129

COc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc4ccccc4c3)S2
Chemical ID:
7140129
Name [?]:
5-[(4-methoxyphenyl)methylene]-2-(2-naphthylimino)thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc4ccccc4c3)S2
InChi [?]:
InChI=1/C21H16N2O2S/c1-25-18-10-6-14(7-11-18)12-19-20(24)23-21(26-19)22-17-9-8-15-4-2-3-5-16(15)13-17/h2-13H,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,21,22,20,23,5,7,18,17,4,8,9,25,6,19,24,16,3,10,11,14,15,13,12,2,26/E:(6,7)(10,11)/rA:26nCOCCCCCCCCCONCNCCCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;s19;d20;s21;d22;d19s23;d16s24;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16N2O2S
All Atoms:42
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.6709
Area:562.724
Solvation:-3.39717
Coulombic:-37.6798
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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