Chemical ID: 6419624

CC(C)(C)c1ccc(cc1)CN2CCN(CC2)C(c3ccccc3)c4ccc(cc4)Cl
Chemical ID:
6419624
Name [?]:
1-[(4-chlorophenyl)-phenyl-methyl]-4-[(4-tert-butylphenyl)methyl]piperazine
SMILES [?]:
CC(C)(C)c1ccc(cc1)CN2CCN(CC2)C(c3ccccc3)c4ccc(cc4)Cl
InChi [?]:
InChI=1/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,22,21,23,20,24,7,9,26,30,6,10,27,29,13,17,14,16,11,8,19,25,5,28,18,2,31,12,15/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:31cCCCCCCCCCCCNCCNCCCCCCCCCCCCCCCCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;d19s23;s18;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H33ClN2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:15.0661
Area:684.091
Solvation:-2.03614
Coulombic:-16.3144
Bond Count [?]
All:34
Single:25
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:433.028
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.14
LogP (Chemaxon):7.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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