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Chemical ID: 4060110
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
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Experimental Annotations
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Descriptor Annotations
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