Chemical ID: 7208067

c1ccc(cc1)N=C2N(C(=O)C(=Cc3cc(ccc3O)Cl)S2)c4ccccc4
Chemical ID:
7208067
Name [?]:
5-[(5-chloro-2-hydroxy-phenyl)methylene]-3-phenyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)C(=Cc3cc(ccc3O)Cl)S2)c4ccccc4
InChi [?]:
InChI=1/C22H15ClN2O2S/c23-16-11-12-19(26)15(13-16)14-20-21(27)25(18-9-5-2-6-10-18)22(28-20)24-17-7-3-1-4-8-17/h1-14,26H
InChi Info:
AuxInfo=1/0/N:1,26,2,6,25,27,3,5,24,28,17,18,15,13,14,16,4,23,19,12,10,8,21,7,9,20,11,22/E:(3,4)(5,6)(7,8)(9,10)/rA:28nCCCCCCNCNCOCCCCCCCCOClSCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s16;s8s12;s9;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H15ClN2O2S
All Atoms:43
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.0555
Area:557.721
Solvation:-2.88754
Coulombic:-42.9337
Bond Count [?]
All:31
Single:19
Double:12
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:406.885
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.02
LogP (Chemaxon):6.51

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Descriptor Annotations

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