Chemical ID: 4060044

Cc1cccc(c1NC(=O)N2CCN(CC2)c3cccc(c3)Cl)C(C)C
Chemical ID:
4060044
Name [?]:
4-(3-chlorophenyl)-N-(2-isopropyl-6-methyl-phenyl)-piperazine-1-carboxamide
SMILES [?]:
Cc1cccc(c1NC(=O)N2CCN(CC2)c3cccc(c3)Cl)C(C)C
InChi [?]:
InChI=1/C21H26ClN3O/c1-15(2)19-9-4-6-16(3)20(19)23-21(26)25-12-10-24(11-13-25)18-8-5-7-17(22)14-18/h4-9,14-15H,10-13H2,1-3H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:25,26,1,4,19,3,20,18,5,13,15,12,16,22,24,2,21,17,6,7,9,23,8,14,11,10/E:(1,2)(10,11)(12,13)/rA:26nCCCCCCCNCONCCNCCCCCCCCClCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s21;s6;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H26ClN3O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.0468
Area:589.783
Solvation:-2.69775
Coulombic:-38.5087
Bond Count [?]
All:28
Single:21
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:371.903
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.91
LogP (Chemaxon):4.43

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