ChemDB: Chemical Search
Download
Chemical ID: 7143155
Chemical ID:
7143155
Name [?]:
2-(2,4-dimethoxyphenyl)amino-5-[(1-methylindol-3-yl)methylene]thiazol-4-one
SMILES [?]:
Cn1cc(c2c1cccc2)C=C3C(=O)N=C(S3)Nc4ccc(cc4OC)OC
InChi [?]:
InChI=1/C21H19N3O3S/c1-24-12-13(15-6-4-5-7-17(15)24)10-19-20(25)23-21(28-19)22-16-9-8-14(26-2)11-18(16)27-3/h4-12H,1-3H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,28,26,9,8,10,7,21,20,11,23,3,4,22,5,19,6,24,12,13,16,18,15,2,14,27,25,17/rA:28nCNCCCCCCCCCCCONCSNCCCCCCOCOC/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s4;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s24;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H19N3O3S |
All Atoms: | 47 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.4655 |
Area: | 602.94 |
Solvation: | -4.60795 |
Coulombic: | -49.4796 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.56 |
LogP (Chemaxon): | None |
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 |
---|