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Chemical ID: 6489851
Chemical ID:
6489851
Name [?]:
5-[(4-benzyloxyphenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C=C3C(=O)NC(=Nc4ccccc4)S3
InChi [?]:
InChI=1/C23H18N2O2S/c26-22-21(28-23(25-22)24-19-9-5-2-6-10-19)15-17-11-13-20(14-12-17)27-16-18-7-3-1-4-8-18/h1-15H,16H2,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,25,2,6,24,26,3,5,23,27,11,13,10,14,15,7,12,4,22,9,16,17,20,21,19,18,8,28/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:28nCCCCCCCOCCCCCCCCCONCNCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;d17;s17;s19;w20;s21;s22;d23;s24;d25;d22s26;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18N2O2S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9528 |
Area: | 616.991 |
Solvation: | -3.472 |
Coulombic: | -39.0693 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 386.467 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.72 |
LogP (Chemaxon): | 5.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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