Chemical ID: 6478203

Cc1ccc(cc1N2CCN(CC2)C(=O)Nc3cccc(c3)C(F)(F)F)Cl
Chemical ID:
6478203
Name [?]:
4-(5-chloro-2-methyl-phenyl)-N,N-bis[4-(5-chloro-2-methyl-phenyl)piperazin-6-yl]-piperazine-1-carboxamide
SMILES [?]:
Cc1ccc(cc1N2CCN(CC2)C(=O)Nc3cccc(c3)C(F)(F)F)Cl
InChi [?]:
InChI=1/C19H19ClF3N3O/c1-13-5-6-15(20)12-17(13)25-7-9-26(10-8-25)18(27)24-16-4-2-3-14(11-16)19(21,22)23/h2-6,11-12H,7-10H2,1H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,3,4,9,13,10,12,22,6,2,21,5,17,7,14,23,27,24,25,26,16,8,11,15/E:(7,8)(9,10)(21,22,23)/rA:27nCCCCCCCNCCNCCCONCCCCCCCFFFCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19ClF3N3O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.4604
Area:580.935
Solvation:-3.06299
Coulombic:-56.2137
Bond Count [?]
All:29
Single:22
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:397.822
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.64
LogP (Chemaxon):5.42

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