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Chemical ID: 6478203
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
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Experimental Annotations
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Descriptor Annotations
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