Chemical ID: 5538896

CCN1C(=O)C(=Cc2cccc(c2O)OC)SC1=Nc3ccccc3
Chemical ID:
5538896
Name [?]:
3-ethyl-5-[(2-hydroxy-3-methoxy-phenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2cccc(c2O)OC)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C19H18N2O3S/c1-3-21-18(23)16(12-13-8-7-11-15(24-2)17(13)22)25-19(21)20-14-9-5-4-6-10-14/h4-12,22H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,23,22,24,10,9,21,25,11,7,8,20,12,6,13,4,18,19,3,14,5,15,17/E:(5,6)(9,10)/rA:25nCCNCOCCCCCCCCOOCSCNCCCCCC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s13;s12;s15;s6;s3s17;w18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.31556
Area:533.943
Solvation:-4.03301
Coulombic:-49.3294
Bond Count [?]
All:27
Single:18
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:354.424
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.17
LogP (Chemaxon):4.4

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Descriptor Annotations

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