Chemical ID: 4839531

CCOc1ccc(cc1)N=C2C(=Cc3ccc(cc3)Cl)SC(=O)N2
Chemical ID:
4839531
Name [?]:
5-[(4-chlorophenyl)methylene]-4-(4-ethoxyphenyl)imino-thiazolidin-2-one
SMILES [?]:
CCOc1ccc(cc1)N=C2C(=Cc3ccc(cc3)Cl)SC(=O)N2
InChi [?]:
InChI=1/C18H15ClN2O2S/c1-2-23-15-9-7-14(8-10-15)20-17-16(24-18(22)21-17)11-12-3-5-13(19)6-4-12/h3-11H,2H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,15,19,16,18,6,8,5,9,13,14,17,7,4,12,11,22,20,10,24,23,3,21/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCOCCCCCCNCCCCCCCCCClSCON/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s12;s21;d22;s11s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.48041
Area:499.671
Solvation:-3.01135
Coulombic:-37.4903
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:358.843
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.05
LogP (Chemaxon):4.96

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