Chemical ID: 4843627

CCOc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3cccc(c3)Cl
Chemical ID:
4843627
Name [?]:
2-(3-chlorophenyl)amino-5-[(3-ethoxy-4-hydroxy-phenyl)methylene]thiazol-4-one
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3cccc(c3)Cl
InChi [?]:
InChI=1/C18H15ClN2O3S/c1-2-24-15-8-11(6-7-14(15)22)9-16-17(23)21-18(25-16)20-13-5-3-4-12(19)10-13/h3-10,22H,2H2,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,22,20,7,8,5,11,24,6,23,19,9,4,12,13,16,25,18,15,10,14,3,17/rA:25nCCOCCCCCCOCCCONCSNCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15ClN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.0649
Area:579.938
Solvation:-4.43351
Coulombic:-52.9773
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:374.842
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.91
LogP (Chemaxon):4.53

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