Chemical ID: 4565745

CCOC(=O)c1c-2c3c(cccc3n(c1=O)C)C(=O)c4c2cccc4
Chemical ID:
4565745
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c-2c3c(cccc3n(c1=O)C)C(=O)c4c2cccc4
InChi [?]:
InChI=1/C20H15NO4/c1-3-25-20(24)17-16-11-7-4-5-8-12(11)18(22)13-9-6-10-14(15(13)16)21(2)19(17)23/h4-10H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,23,24,11,22,25,10,12,21,20,9,13,8,7,6,18,15,4,14,19,16,5,3/rA:25nCCOCOCCCCCCCCNCOCCOCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s10;d11;d8s12;s13;s6s14;d15;s14;s9;d18;s18;s7s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.25053
Area:491.576
Solvation:-3.03888
Coulombic:-45.4636
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:333.337
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.05
LogP (Chemaxon):2.93

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Experimental Annotations

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Descriptor Annotations

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