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Chemical ID: 4601422
Chemical ID:
4601422
Name [?]:
5-[(2-hydroxyphenyl)methylene]-3-phenyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)C(=Cc3ccccc3O)S2)c4ccccc4
InChi [?]:
InChI=1/C22H16N2O2S/c25-19-14-8-7-9-16(19)15-20-21(26)24(18-12-5-2-6-13-18)22(27-20)23-17-10-3-1-4-11-17/h1-15,25H
InChi Info:
AuxInfo=1/0/N:1,25,2,6,24,26,16,17,15,3,5,23,27,18,13,14,4,22,19,12,10,8,7,9,20,11,21/E:(3,4)(5,6)(10,11)(12,13)/rA:27nCCCCCCNCNCOCCCCCCCCOSCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s8s12;s9;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.225 |
Area: | 519.805 |
Solvation: | -2.77015 |
Coulombic: | -43.1456 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 372.441 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.39 |
LogP (Chemaxon): | 6.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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