Chemical ID: 4863649

CC(=O)NC(=S)Nc1ccc(cc1)NC(=S)NC(=O)c2ccc(o2)c3cc(ccc3Cl)Cl
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.

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