Chemical ID: 5541360

CN1C(=O)C(=Cc2ccccc2OCC=C)SC1=Nc3ccccc3
Chemical ID:
5541360
Name [?]:
5-[(2-allyloxyphenyl)methylene]-3-methyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
CN1C(=O)C(=Cc2ccccc2OCC=C)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C20H18N2O2S/c1-3-13-24-17-12-8-7-9-15(17)14-18-19(23)22(2)20(25-18)21-16-10-5-4-6-11-16/h3-12,14H,1,13H2,2H3
InChi Info:
AuxInfo=1/0/N:16,1,15,23,22,24,9,10,8,21,25,11,14,6,7,20,12,5,3,18,19,2,4,13,17/E:(5,6)(10,11)/rA:25nCNCOCCCCCCCCOCCCSCNCCCCCC/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s12;s13;s14;d15;s5;s2s17;w18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.8687
Area:552.779
Solvation:-2.9508
Coulombic:-35.4512
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:350.435
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.76
LogP (Chemaxon):5.09

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Descriptor Annotations

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