Chemical ID: 4060110

Cc1ccc(c(c1)C)NC(=O)N2CCN(CC2)c3ccc(c(c3)Cl)Cl
Chemical ID:
4060110
Name [?]:
4-(3,4-dichlorophenyl)-N-(2,4-dimethylphenyl)-piperazine-1-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)NC(=O)N2CCN(CC2)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C19H21Cl2N3O/c1-13-3-6-18(14(2)11-13)22-19(25)24-9-7-23(8-10-24)15-4-5-16(20)17(21)12-15/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,8,3,19,20,4,14,16,13,17,7,23,2,6,18,21,22,5,10,25,24,9,15,12,11/E:(7,8)(9,10)/rA:25nCCCCCCCCNCONCCNCCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;d19;s20;d21;d18s22;s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21Cl2N3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.8928
Area:580.996
Solvation:-2.63208
Coulombic:-37.8855
Bond Count [?]
All:27
Single:20
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:378.295
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.78
LogP (Chemaxon):4.87

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