Chemical ID: 4842944

C=CCN1C(=O)C(=Cc2ccc(cc2)O)SC1=Nc3nccs3
Chemical ID:
4842944
Name [?]:
3-allyl-5-[(4-hydroxyphenyl)methylene]-2-thiazol-2-ylimino-thiazolidin-4-one
SMILES [?]:
C=CCN1C(=O)C(=Cc2ccc(cc2)O)SC1=Nc3nccs3
InChi [?]:
InChI=1/C16H13N3O2S2/c1-2-8-19-14(21)13(10-11-3-5-12(20)6-4-11)23-16(19)18-15-17-7-9-22-15/h2-7,9-10,20H,1,8H2
InChi Info:
AuxInfo=1/0/N:1,2,10,14,11,13,21,3,22,8,9,12,7,5,19,17,20,18,4,15,6,23,16/E:(3,4)(5,6)/rA:23nCCCNCOCCCCCCCCOSCNCNCCS/rB:d1;s2;s3;s4;d5;s5;w7;s8;s9;d10;s11;d12;d9s13;s12;s7;s4s16;w17;s18;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13N3O2S2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.70371
Area:506.463
Solvation:-2.95785
Coulombic:-48.2699
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:343.425
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.02
LogP (Chemaxon):4.31

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