ChemDB: Chemical Search
Download
Chemical ID: 4863649
Chemical ID:
4863649
Name [?]:
N-[[4-(acetylthiocarbamoylamino)phenyl]thiocarbamoyl]-5-(2,5-dichlorophenyl)-furan-2-carboxamide
SMILES [?]:
CC(=O)NC(=S)Nc1ccc(cc1)NC(=S)NC(=O)c2ccc(o2)c3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C21H16Cl2N4O3S2/c1-11(28)24-20(31)25-13-3-5-14(6-4-13)26-21(32)27-19(29)18-9-8-17(30-18)15-10-12(22)2-7-16(15)23/h2-10H,1H3,(H2,24,25,28,31)(H2,26,27,29,32)
InChi Info:
AuxInfo=1/1/N:1,28,9,13,10,12,29,22,21,26,2,27,8,11,25,30,23,20,18,5,15,32,31,4,7,14,17,3,19,24,6,16/E:(3,4)(5,6)/rA:32nCCONCSNCCCCCCNCSNCOCCCCOCCCCCCClCl/rB:s1;d2;s2;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s18;d20;s21;d22;s20s23;s23;s25;d26;s27;d28;d25s29;s30;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16Cl2N4O3S2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.6439 |
Area: | 723.662 |
Solvation: | -4.44764 |
Coulombic: | -74.0009 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 507.414 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 4.62 |
LogP (Chemaxon): | 4.78 |
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 |
---|