Chemical ID: 3968530

c1ccnc(c1)N2CCN(CC2)CC(COc3ccc(cc3)C4CCCCC4)O
Chemical ID:
3968530
Name [?]:
1-(4-cyclohexylphenoxy)-3-[4-(2-pyridyl)piperazin-1-yl]-propan-2-ol
SMILES [?]:
c1ccnc(c1)N2CCN(CC2)CC(COc3ccc(cc3)C4CCCCC4)O
InChi [?]:
InChI=1/C24H33N3O2/c28-22(18-26-14-16-27(17-15-26)24-8-4-5-13-25-24)19-29-23-11-9-21(10-12-23)20-6-2-1-3-7-20/h4-5,8-13,20,22,28H,1-3,6-7,14-19H2
InChi Info:
AuxInfo=1/0/N:26,25,27,1,2,24,28,6,19,21,18,22,3,9,11,8,12,13,15,23,20,14,17,5,4,10,7,29,16/E:(2,3)(6,7)(9,10)(11,12)(14,15)(16,17)/rA:29cCCCNCCNCCNCCCCCOCCCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;s10;s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;s26;s23s27;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H33N3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.5901
Area:650.09
Solvation:-5.66213
Coulombic:-41.754
Bond Count [?]
All:32
Single:26
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:395.538
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.18
LogP (Chemaxon):4.62

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Descriptor Annotations

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