Chemical ID: 4257507

Cc1ccc(cc1)OCC(=O)N2CCN(CC2)C(=O)CCCC(=O)O
Chemical ID:
4257507
Name [?]:
5-[4-[2-(4-methylphenoxy)acetyl]piperazin-1-yl]-5-oxo-pentanoic acid
SMILES [?]:
Cc1ccc(cc1)OCC(=O)N2CCN(CC2)C(=O)CCCC(=O)O
InChi [?]:
InChI=1/C18H24N2O5/c1-14-5-7-15(8-6-14)25-13-17(22)20-11-9-19(10-12-20)16(21)3-2-4-18(23)24/h5-8H,2-4,9-13H2,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,3,7,4,6,14,16,13,17,9,2,5,18,10,23,15,12,19,11,24,25,8/E:(5,6)(7,8)(9,10)(11,12)(23,24)/rA:25nCCCCCCCOCCONCCNCCCOCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N2O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:8.00742
Area:588.357
Solvation:-6.7015
Coulombic:-63.3979
Bond Count [?]
All:26
Single:20
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:348.394
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:0.85
LogP (Chemaxon):0.72

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