Chemical ID: 4697522

Cn1c(=O)c2c(n(c1=O)C)OCC3C2c4ccccc4OC3
Chemical ID:
4697522
Name [?]:
None
SMILES [?]:
Cn1c(=O)c2c(n(c1=O)C)OCC3C2c4ccccc4OC3
InChi [?]:
InChI=1/C16H16N2O4/c1-17-14(19)13-12-9(8-22-15(13)18(2)16(17)20)7-21-11-6-4-3-5-10(11)12/h3-6,9,12H,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,17,18,16,19,22,12,13,15,20,14,5,3,6,8,2,7,4,9,21,11/rA:22cCNCOCCNCOCOCCCCCCCCCOC/rB:s1;s2;d3;s3;d5;s6;s2s7;d8;s7;s6;s11;s12;s5s13;s14;s15;d16;s17;d18;d15s19;s20;s13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:7.28612
Area:437.971
Solvation:-3.66316
Coulombic:-50.2275
Bond Count [?]
All:25
Single:19
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:300.309
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.01
LogP (Chemaxon):1.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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