Chemical ID: 4060051

CCc1cccc(c1NC(=O)N2CCN(CC2)c3cccc(c3)Cl)C(C)C
Chemical ID:
4060051
Name [?]:
4-(3-chlorophenyl)-N-(2-ethyl-6-isopropyl-phenyl)-piperazine-1-carboxamide
SMILES [?]:
CCc1cccc(c1NC(=O)N2CCN(CC2)c3cccc(c3)Cl)C(C)C
InChi [?]:
InChI=1/C22H28ClN3O/c1-4-17-7-5-10-20(16(2)3)21(17)24-22(27)26-13-11-25(12-14-26)19-9-6-8-18(23)15-19/h5-10,15-16H,4,11-14H2,1-3H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,26,27,2,5,20,4,21,19,6,14,16,13,17,23,25,3,22,18,7,8,10,24,9,15,12,11/E:(2,3)(11,12)(13,14)/rA:27nCCCCCCCCNCONCCNCCCCCCCCClCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;d19;s20;d21;d18s22;s22;s7;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28ClN3O
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.5927
Area:610.508
Solvation:-2.67006
Coulombic:-38.903
Bond Count [?]
All:29
Single:22
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:385.93
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.38
LogP (Chemaxon):4.82

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