Chemical ID: 5686330

COc1ccc(cc1)CNC(=O)c2c(=O)c3cccc4c3n(c2O)CC4
Chemical ID:
5686330
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)CNC(=O)c2c(=O)c3cccc4c3n(c2O)CC4
InChi [?]:
InChI=1/C20H18N2O4/c1-26-14-7-5-12(6-8-14)11-21-19(24)16-18(23)15-4-2-3-13-9-10-22(17(13)15)20(16)25/h2-8,25H,9-11H2,1H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,18,19,17,5,7,4,8,26,25,9,6,20,3,16,13,21,14,11,23,10,22,15,12,24,2/E:(5,6)(7,8)/rA:26nCOCCCCCCCNCOCCOCCCCCCNCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;s22;s20s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.1519
Area:553.499
Solvation:-4.68556
Coulombic:-60.3033
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:350.368
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.4
LogP (Chemaxon):3.6

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Descriptor Annotations

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