Chemical ID: 4661196

CCN1C(=O)C(=Cc2cc(c(c(c2)Cl)O)OC)SC1=Nc3ccccc3
Chemical ID:
4661196
Name [?]:
5-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methylene]-3-ethyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2cc(c(c(c2)Cl)O)OC)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C19H17ClN2O3S/c1-3-22-18(24)16(26-19(22)21-13-7-5-4-6-8-13)11-12-9-14(20)17(23)15(10-12)25-2/h4-11,23H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,24,23,25,22,26,13,9,7,8,21,12,10,6,11,4,19,14,20,3,15,5,16,18/E:(5,6)(7,8)/rA:26nCCNCOCCCCCCCCClOOCSCNCCCCCC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s12;s11;s10;s16;s6;s3s18;w19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.70795
Area:560.8
Solvation:-4.31204
Coulombic:-49.0128
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:388.869
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.79
LogP (Chemaxon):4.92

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