Chemical ID: 4111652

c1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(o3)c4ccc(cc4)Cl)S2
Chemical ID:
4111652
Name [?]:
2-anilino-5-[[5-(4-chlorophenyl)-2-furyl]methylene]thiazol-4-one
SMILES [?]:
c1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(o3)c4ccc(cc4)Cl)S2
InChi [?]:
InChI=1/C20H13ClN2O2S/c21-14-8-6-13(7-9-14)17-11-10-16(25-17)12-18-19(24)23-20(26-18)22-15-4-2-1-3-5-15/h1-12H,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,20,24,21,23,15,16,13,19,22,4,14,17,12,10,8,25,7,9,11,18,26/E:(2,3)(4,5)(6,7)(8,9)/rA:26nCCCCCCNCNCOCCCCCCOCCCCCCClS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s22;s8s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H13ClN2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.2582
Area:581.913
Solvation:-3.28959
Coulombic:-36.7938
Bond Count [?]
All:29
Single:18
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:380.848
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.63
LogP (Chemaxon):5.12

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