Chemical ID: 6468864

CCN1C(=O)C(=Cc2ccc(c(c2)Cl)O)SC1=Nc3ccc(cc3)OC
Chemical ID:
6468864
Name [?]:
5-[(3-chloro-4-hydroxy-phenyl)methylene]-3-ethyl-2-(4-methoxyphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(c(c2)Cl)O)SC1=Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C19H17ClN2O3S/c1-3-22-18(24)17(11-12-4-9-16(23)15(20)10-12)26-19(22)21-13-5-7-14(25-2)8-6-13/h4-11,23H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,2,9,20,24,21,23,10,13,7,8,19,22,12,11,6,4,17,14,18,3,15,5,25,16/E:(5,6)(7,8)/rA:26nCCNCOCCCCCCCCClOSCNCCCCCCOC/rB:s1;s2;s3;d4;s4;w6;s7;s8;d9;s10;d11;d8s12;s12;s11;s6;s3s16;w17;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.0136
Area:566.469
Solvation:-4.14812
Coulombic:-48.3391
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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Descriptor Annotations

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