Chemical ID: 4059986

Cc1ccc(c(c1)C)N2CCN(CC2)C(=O)Nc3c(cccc3F)F
Chemical ID:
4059986
Name [?]:
4-(2,4-dimethylphenyl)-N,N-bis[4-(2,4-dimethylphenyl)piperazin-6-yl]-piperazine-1-carboxamide
SMILES [?]:
Cc1ccc(c(c1)C)N2CCN(CC2)C(=O)Nc3c(cccc3F)F
InChi [?]:
InChI=1/C19H21F2N3O/c1-13-6-7-17(14(2)12-13)23-8-10-24(11-9-23)19(25)22-18-15(20)4-3-5-16(18)21/h3-7,12H,8-11H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,8,21,20,22,3,4,10,14,11,13,7,2,6,19,23,5,18,15,25,24,17,9,12,16/E:(4,5)(8,9)(10,11)(15,16)(20,21)/rA:25nCCCCCCCCNCCNCCCONCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;s12;s9s13;s12;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21F2N3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.14835
Area:533.768
Solvation:-4.19585
Coulombic:-44.1262
Bond Count [?]
All:27
Single:20
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:345.386
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.85
LogP (Chemaxon):3.46

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