Chemical ID: 4296096

Cc1cccc(c1)N2C(=O)C(=Cc3ccccc3OC)SC2=S
Chemical ID:
4296096
Name [?]:
5-[(2-methoxyphenyl)methylene]-3-(m-tolyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1)N2C(=O)C(=Cc3ccccc3OC)SC2=S
InChi [?]:
InChI=1/C18H15NO2S2/c1-12-6-5-8-14(10-12)19-17(20)16(23-18(19)22)11-13-7-3-4-9-15(13)21-2/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,15,16,4,3,14,5,17,7,12,2,13,6,18,11,9,22,8,10,19,23,21/rA:23nCCCCCCCNCOCCCCCCCCOCSCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s11;s8s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO2S2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.5325
Area:529.158
Solvation:-2.69649
Coulombic:-27.797
Bond Count [?]
All:25
Single:16
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:341.449
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.74
LogP (Chemaxon):4.7

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Descriptor Annotations

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