ChemDB: Chemical Search
Download
Chemical ID: 7135048
Chemical ID:
7135048
Name [?]:
2-(4-chlorophenyl)amino-5-[[5-(3,4-dichlorophenyl)-2-furyl]methylene]thiazol-4-one
SMILES [?]:
c1cc(ccc1NC2=NC(=O)C(=Cc3ccc(o3)c4ccc(c(c4)Cl)Cl)S2)Cl
InChi [?]:
InChI=1/C20H11Cl3N2O2S/c21-12-2-4-13(5-3-12)24-20-25-19(26)18(28-20)10-14-6-8-17(27-14)11-1-7-15(22)16(23)9-11/h1-10H,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:20,2,4,1,5,15,21,16,24,13,19,3,6,14,22,23,17,12,10,8,28,26,25,7,9,11,18,27/E:(2,3)(4,5)/rA:28nCCCCCCNCNCOCCCCCCOCCCCCCClClSCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;s10;w12;s13;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;s23;s22;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H11Cl3N2O2S |
All Atoms: | 39 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7934 |
Area: | 643.746 |
Solvation: | -3.30024 |
Coulombic: | -36.8522 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 449.738 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.87 |
LogP (Chemaxon): | 6.15 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|