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Chemical ID: 5771621
Chemical ID:
5771621
Name [?]:
1-cyclohexoxy-3-[4-(3-cyclohexoxy-2-hydroxy-propyl)piperazin-1-yl]-propan-2-ol
SMILES [?]:
C1CCC(CC1)OCC(CN2CCN(CC2)CC(COC3CCCCC3)O)O
InChi [?]:
InChI=1/C22H42N2O4/c25-19(17-27-21-7-3-1-4-8-21)15-23-11-13-24(14-12-23)16-20(26)18-28-22-9-5-2-6-10-22/h19-22,25-26H,1-18H2
InChi Info:
AuxInfo=1/0/N:1,24,2,6,23,25,3,5,22,26,12,16,13,15,10,17,8,19,9,18,4,21,11,14,28,27,7,20/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)/rA:28cCCCCCCOCCCNCCNCCCCCOCCCCCCOO/rB:s1;s2;s3;s4;s1s5;s4;s7;s8;s9;s10;s11;s12;s13;s14;s11s15;s14;s17;s18;s19;s20;s21;s22;s23;s24;s21s25;s18;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H42N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.69318 |
Area: | 674.955 |
Solvation: | -8.18069 |
Coulombic: | -58.1743 |
Bond Count [?]
All: | 30 |
Single: | 30 |
Double: | 0 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 398.58 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.64 |
LogP (Chemaxon): | 2.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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