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Chemical ID: 5686330
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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