Chemical ID: 4257436

Cc1ccccc1C(=O)N2CCN(CC2)C(=O)c3ccccc3C(=O)O
Chemical ID:
4257436
Name [?]:
2-[4-(2-methylbenzoyl)piperazin-1-yl]carbonylbenzoic acid
SMILES [?]:
Cc1ccccc1C(=O)N2CCN(CC2)C(=O)c3ccccc3C(=O)O
InChi [?]:
InChI=1/C20H20N2O4/c1-14-6-2-3-7-15(14)18(23)21-10-12-22(13-11-21)19(24)16-8-4-5-9-17(16)20(25)26/h2-9H,10-13H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,4,5,20,21,3,6,19,22,11,15,12,14,2,7,18,23,8,16,24,10,13,9,17,25,26/E:(10,11)(12,13)(25,26)/rA:26nCCCCCCCCONCCNCCCOCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;d19;s20;d21;d18s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.55412
Area:542.092
Solvation:-3.99819
Coulombic:-62.4711
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:352.384
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.77
LogP (Chemaxon):2.01

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