Chemical ID: 6489851

c1ccc(cc1)COc2ccc(cc2)C=C3C(=O)NC(=Nc4ccccc4)S3
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

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Descriptor Annotations

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