Chemical ID: 5538441

CN1C(=O)C(=Cc2ccc(c(c2)OC)O)SC1=Nc3ccccc3
Chemical ID:
5538441
Name [?]:
5-[(4-hydroxy-3-methoxy-phenyl)methylene]-3-methyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
CN1C(=O)C(=Cc2ccc(c(c2)OC)O)SC1=Nc3ccccc3
InChi [?]:
InChI=1/C18H16N2O3S/c1-20-17(22)16(11-12-8-9-14(21)15(10-12)23-2)24-18(20)19-13-6-4-3-5-7-13/h3-11,21H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,22,21,23,20,24,8,9,12,6,7,19,10,11,5,3,17,18,2,15,4,13,16/E:(4,5)(6,7)/rA:24nCNCOCCCCCCCCOCOSCNCCCCCC/rB:s1;s2;d3;s3;w5;s6;s7;d8;s9;d10;d7s11;s11;s13;s10;s5;s2s16;w17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.58118
Area:521.773
Solvation:-4.46315
Coulombic:-48.4124
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:340.397
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.74
LogP (Chemaxon):4.06

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue