Chemical ID: 7010407

C=CCN1C(=O)C(=Cc2ccccc2)SC1=Nc3cccc(c3)O
Chemical ID:
7010407
Name [?]:
3-allyl-5-benzylidene-2-(3-hydroxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
C=CCN1C(=O)C(=Cc2ccccc2)SC1=Nc3cccc(c3)O
InChi [?]:
InChI=1/C19H16N2O2S/c1-2-11-21-18(23)17(12-14-7-4-3-5-8-14)24-19(21)20-15-9-6-10-16(22)13-15/h2-10,12-13,22H,1,11H2
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,20,10,14,19,21,3,8,23,9,18,22,7,5,16,17,4,24,6,15/E:(4,5)(7,8)/rA:24nCCCNCOCCCCCCCCSCNCCCCCCO/rB:d1;s2;s3;s4;d5;s5;w7;s8;s9;d10;s11;d12;d9s13;s7;s4s15;w16;s17;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O2S
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.99305
Area:514.281
Solvation:-2.86397
Coulombic:-43.3416
Bond Count [?]
All:26
Single:16
Double:10
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:336.409
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.44
LogP (Chemaxon):5.05

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