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Chemical ID: 7208067
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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